2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine

C98H108F10N6O4 — CID 162103294

About 2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine

2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine (PubChem CID 162103294) has the molecular formula C98H108F10N6O4 and a molecular weight of 1623.96 g/mol. Its IUPAC name is 2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

• Compound Name: 2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
• PubChem CID: 162103294
• Molecular Formula: C98H108F10N6O4
• Molecular Weight: 1623.96 g/mol
• Exact Mass: 1622.83
• IUPAC Name: 2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
• SMILES: CCC(CN)C(c1cccc(F)c1)c1cccc(F)c1.COc1ccc(F)cc1C(CCN)c1cccc(F)c1.COc1ccccc1C(CCN)c1ccccc1OC.Cc1c(F)cccc1C(CCN)c1cccc(F)c1.Cc1ccc(F)cc1C(CCN)c1cccc(F)c1.NCC(CO)C(c1cccc(F)c1)c1cccc(F)c1
• InChI: InChI=1S/C17H19F2N.C17H21NO2.2C16H17F2NO.2C16H17F2N/c1-2-12(11-20)17(13-5-3-7-15(18)9-13)14-6-4-8-16(19)10-14;1-19-16-9-5-3-7-14(16)13(11-12-18)15-8-4-6-10-17(15)20-2;1-20-16-6-5-13(18)10-15(16)14(7-8-19)11-3-2-4-12(17)9-11;17-14-5-1-3-11(7-14)16(13(9-19)10-20)12-4-2-6-15(18)8-12;1-11-14(6-3-7-16(11)18)15(8-9-19)12-4-2-5-13(17)10-12;1-11-5-6-14(18)10-16(11)15(7-8-19)12-3-2-4-13(17)9-12/h3-10,12,17H,2,11,20H2,1H3;3-10,13H,11-12,18H2,1-2H3;2-6,9-10,14H,7-8,19H2,1H3;1-8,13,16,20H,9-10,19H2;2-7,10,15H,8-9,19H2,1H3;2-6,9-10,15H,7-8,19H2,1H3
• InChIKey: ZFEBUOLTALAOSO-UHFFFAOYSA-N
• XLogP: 20.89
• TPSA: 204.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 29
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1623.96
LogP ≤ 5	20.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine?

The IUPAC name of 2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine (CID 162103294) is 2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine.

What is the SMILES notation for 2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine?

The canonical SMILES for 2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine is CCC(CN)C(c1cccc(F)c1)c1cccc(F)c1.COc1ccc(F)cc1C(CCN)c1cccc(F)c1.COc1ccccc1C(CCN)c1ccccc1OC.Cc1c(F)cccc1C(CCN)c1cccc(F)c1.Cc1ccc(F)cc1C(CCN)c1cccc(F)c1.NCC(CO)C(c1cccc(F)c1)c1cccc(F)c1.

What is the InChIKey of 2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine?

The InChIKey is ZFEBUOLTALAOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N.C17H21NO2.2C16H17F2NO.2C16H17F2N/c1-2-12(11-20)17(13-5-3-7-15(18)9-13)14-6-4-8-16(19)10-14;1-19-16-9-5-3-7-14(16)13(11-12-18)15-8-4-6-10-17(15)20-2;1-20-16-6-5-13(18)10-15(16)14(7-8-19)11-3-2-4-12(17)9-11;17-14-5-1-3-11(7-14)16(13(9-19)10-20)12-4-2-6-15(18)8-12;1-11-14(6-3-7-16(11)18)15(8-9-19)12-4-2-5-13(17)10-12;1-11-5-6-14(18)10-16(11)15(7-8-19)12-3-2-4-13(17)9-12/h3-10,12,17H,2,11,20H2,1H3;3-10,13H,11-12,18H2,1-2H3;2-6,9-10,14H,7-8,19H2,1H3;1-8,13,16,20H,9-10,19H2;2-7,10,15H,8-9,19H2,1H3;2-6,9-10,15H,7-8,19H2,1H3.

What are the key properties of 2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine?

2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine has a molecular weight of 1623.96 g/mol, XLogP of 20.89, 29 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(aminomethyl)-3,3-bis(3-fluorophenyl)propan-1-ol;2-[bis(3-fluorophenyl)methyl]butan-1-amine;3,3-bis(2-methoxyphenyl)propan-1-amine;3-(5-fluoro-2-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(3-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine;3-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 162103294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).