[3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone

C16H13NO3 — CID 172732812

IUPAC[3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone
SMILESNCc1cccc(C(=O)c2c(O)oc3ccccc23)c1
InChIInChI=1S/C16H13NO3/c17-9-10-4-3-5-11(8-10)15(18)14-12-6-1-2-7-13(12)20-16(14)19/h1-8,19H,9,17H2
InChIKeyFPTQRQPHJMCQGT-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.83
Rot. Bonds3

About [3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone

[3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone (PubChem CID 172732812) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone
PubChem CID172732812
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name[3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone
SMILESNCc1cccc(C(=O)c2c(O)oc3ccccc23)c1
InChIInChI=1S/C16H13NO3/c17-9-10-4-3-5-11(8-10)15(18)14-12-6-1-2-7-13(12)20-16(14)19/h1-8,19H,9,17H2
InChIKeyFPTQRQPHJMCQGT-UHFFFAOYSA-N
XLogP2.83
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone
CID 137124147
ethyl 3-(aminomethyl)benzoate
CID 15079215
methyl 3-(aminomethyl)benzoate;molecular hydrogen
CID 144769732
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone
CID 116917494
2-[3-[3-(aminomethyl)benzoyl]anilino]acetic acid
CID 70089675
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone
CID 174940425
1-phenylethanone;phenylmethanamine
CID 174700909
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
CID 28974181
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
3-(aminomethyl)-N-ethylbenzamide
CID 16777664

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone?
The IUPAC name of [3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone (CID 172732812) is [3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone?
The canonical SMILES for [3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone is NCc1cccc(C(=O)c2c(O)oc3ccccc23)c1.
What is the InChIKey of [3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone?
The InChIKey is FPTQRQPHJMCQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c17-9-10-4-3-5-11(8-10)15(18)14-12-6-1-2-7-13(12)20-16(14)19/h1-8,19H,9,17H2.
What are the key properties of [3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone?
[3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone has a molecular weight of 267.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 172732812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).