[(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C15H14ClNO — CID 125485605

IUPAC[(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2ccc(-c3ccc(Cl)cc3)cc2O1
InChIInChI=1S/C15H14ClNO/c16-13-5-3-10(4-6-13)11-1-2-12-7-14(9-17)18-15(12)8-11/h1-6,8,14H,7,9,17H2/t14-/m1/s1
InChIKeyQMDABDBTICBBGL-CQSZACIVSA-N
MW259.74 g/mol
LogP3.27
Rot. Bonds2

About [(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 125485605) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is [(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID125485605
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name[(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2ccc(-c3ccc(Cl)cc3)cc2O1
InChIInChI=1S/C15H14ClNO/c16-13-5-3-10(4-6-13)11-1-2-12-7-14(9-17)18-15(12)8-11/h1-6,8,14H,7,9,17H2/t14-/m1/s1
InChIKeyQMDABDBTICBBGL-CQSZACIVSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
[(2R)-6-chloro-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 101091624
4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide
CID 118759725
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
[(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383335
2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine
CID 79441587
[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine;sulfane
CID 159919789
[4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]morpholin-2-yl]methanamine
CID 114398605
[(2S)-5-chloro-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129384142
[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383339
[7-(2,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11404165
[(2R)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964054

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 125485605) is [(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is NC[C@H]1Cc2ccc(-c3ccc(Cl)cc3)cc2O1.
What is the InChIKey of [(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is QMDABDBTICBBGL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-13-5-3-10(4-6-13)11-1-2-12-7-14(9-17)18-15(12)8-11/h1-6,8,14H,7,9,17H2/t14-/m1/s1.
What are the key properties of [(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 259.74 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 125485605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).