1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol

C17H17NO2 — CID 160723042

IUPAC1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol
SMILESCC(O)c1cc2cccc(-c3cccc(CN)c3)c2o1
InChIInChI=1S/C17H17NO2/c1-11(19)16-9-14-6-3-7-15(17(14)20-16)13-5-2-4-12(8-13)10-18/h2-9,11,19H,10,18H2,1H3
InChIKeyRTISPMABNQUPFV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.61
Rot. Bonds3

About 1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol

1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol (PubChem CID 160723042) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol.

Molecular Properties

Compound Name1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol
PubChem CID160723042
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol
SMILESCC(O)c1cc2cccc(-c3cccc(CN)c3)c2o1
InChIInChI=1S/C17H17NO2/c1-11(19)16-9-14-6-3-7-15(17(14)20-16)13-5-2-4-12(8-13)10-18/h2-9,11,19H,10,18H2,1H3
InChIKeyRTISPMABNQUPFV-UHFFFAOYSA-N
XLogP3.61
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-amine
CID 65440953
[3-(2-benzofuran-4-yl)phenyl]methanamine
CID 175083312
[3-(1-benzothiophen-7-yl)phenyl]methanamine
CID 81154276
2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one
CID 65426129
[3-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985236
[3-(2-chlorophenyl)phenyl]methanamine
CID 1392189
2-[2-[3-(aminomethyl)phenyl]phenyl]aniline
CID 174455966
4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride
CID 23514550
[3-[5-[[(E)-but-2-en-2-yl]oxymethyl]-1-benzofuran-7-yl]phenyl]methanamine
CID 166942961
2-(1-aminoethyl)-1-benzofuran-7-ol
CID 82599376
[4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine
CID 116545403
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243

Frequently Asked Questions

What is the IUPAC name of 1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol?
The IUPAC name of 1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol (CID 160723042) is 1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol.
What is the SMILES notation for 1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol?
The canonical SMILES for 1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol is CC(O)c1cc2cccc(-c3cccc(CN)c3)c2o1.
What is the InChIKey of 1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol?
The InChIKey is RTISPMABNQUPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11(19)16-9-14-6-3-7-15(17(14)20-16)13-5-2-4-12(8-13)10-18/h2-9,11,19H,10,18H2,1H3.
What are the key properties of 1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol?
1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol has a molecular weight of 267.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol is sourced from PubChem (CID 160723042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).