[(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine

C101H99Cl9F3N5O6 — CID 158450506

About [(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine

[(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine (PubChem CID 158450506) has the molecular formula C101H99Cl9F3N5O6 and a molecular weight of 1855.00 g/mol. Its IUPAC name is [(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine.

Molecular Properties

• Compound Name: [(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine
• PubChem CID: 158450506
• Molecular Formula: C101H99Cl9F3N5O6
• Molecular Weight: 1855.00 g/mol
• Exact Mass: 1849.47
• IUPAC Name: [(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine
• SMILES: CC[C@H]1CCCc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1.Cc1cc(Cl)ccc1-c1c(F)ccc2c1O[C@@H](CN)CC2.Cc1ccccc1-c1c(Cl)ccc2c1O[C@@H](CN)CC2.NC[C@H]1CCCc2cccc(-c3c(Cl)cccc3Cl)c2O1.NC[C@H]1CCc2ccc(Cl)c(-c3ccccc3Cl)c2O1.NC[C@H]1CCc2ccc(F)c(-c3ccccc3Cl)c2O1
• InChI: InChI=1S/C18H17Cl2FO.C17H17Cl2NO.C17H17ClFNO.C17H18ClNO.C16H15Cl2NO.C16H15ClFNO/c1-2-13-6-3-5-11-9-12(21)10-14(18(11)22-13)17-15(19)7-4-8-16(17)20;18-14-8-3-9-15(19)16(14)13-7-2-5-11-4-1-6-12(10-20)21-17(11)13;1-10-8-12(18)4-6-14(10)16-15(19)7-3-11-2-5-13(9-20)21-17(11)16;1-11-4-2-3-5-14(11)16-15(18)9-7-12-6-8-13(10-19)20-17(12)16;2*17-13-4-2-1-3-12(13)15-14(18)8-6-10-5-7-11(9-19)20-16(10)15/h4,7-10,13H,2-3,5-6H2,1H3;2-3,5,7-9,12H,1,4,6,10,20H2;3-4,6-8,13H,2,5,9,20H2,1H3;2-5,7,9,13H,6,8,10,19H2,1H3;2*1-4,6,8,11H,5,7,9,19H2/t13-;12-;2*13-;2*11-/m011111/s1
• InChIKey: HDXQCEMMJHAPKS-DVFXTGGFSA-N
• XLogP: 27.18
• TPSA: 185.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.00
LogP ≤ 5	27.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine?

The IUPAC name of [(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine (CID 158450506) is [(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine.

What is the SMILES notation for [(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine?

The canonical SMILES for [(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine is CC[C@H]1CCCc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1.Cc1cc(Cl)ccc1-c1c(F)ccc2c1O[C@@H](CN)CC2.Cc1ccccc1-c1c(Cl)ccc2c1O[C@@H](CN)CC2.NC[C@H]1CCCc2cccc(-c3c(Cl)cccc3Cl)c2O1.NC[C@H]1CCc2ccc(Cl)c(-c3ccccc3Cl)c2O1.NC[C@H]1CCc2ccc(F)c(-c3ccccc3Cl)c2O1.

What is the InChIKey of [(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine?

The InChIKey is HDXQCEMMJHAPKS-DVFXTGGFSA-N. The full InChI is InChI=1S/C18H17Cl2FO.C17H17Cl2NO.C17H17ClFNO.C17H18ClNO.C16H15Cl2NO.C16H15ClFNO/c1-2-13-6-3-5-11-9-12(21)10-14(18(11)22-13)17-15(19)7-4-8-16(17)20;18-14-8-3-9-15(19)16(14)13-7-2-5-11-4-1-6-12(10-20)21-17(11)13;1-10-8-12(18)4-6-14(10)16-15(19)7-3-11-2-5-13(9-20)21-17(11)16;1-11-4-2-3-5-14(11)16-15(18)9-7-12-6-8-13(10-19)20-17(12)16;2*17-13-4-2-1-3-12(13)15-14(18)8-6-10-5-7-11(9-19)20-16(10)15/h4,7-10,13H,2-3,5-6H2,1H3;2-3,5,7-9,12H,1,4,6,10,20H2;3-4,6-8,13H,2,5,9,20H2,1H3;2-5,7,9,13H,6,8,10,19H2,1H3;2*1-4,6,8,11H,5,7,9,19H2/t13-;12-;2*13-;2*11-/m011111/s1.

What are the key properties of [(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine?

[(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine has a molecular weight of 1855.00 g/mol, XLogP of 27.18, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-7-chloro-8-(2-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-7-chloro-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2R)-8-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;(2S)-9-(2,6-dichlorophenyl)-2-ethyl-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepine;[(2R)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]methanamine is sourced from PubChem (CID 158450506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).