N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide

C16H18N2O2 — CID 60917725

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide
SMILESCC(NC(=O)c1cccc(O)c1)c1ccc(CN)cc1
InChIInChI=1S/C16H18N2O2/c1-11(13-7-5-12(10-17)6-8-13)18-16(20)14-3-2-4-15(19)9-14/h2-9,11,19H,10,17H2,1H3,(H,18,20)
InChIKeyOOLOBQVGJZLOCG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.34
Rot. Bonds4

About N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide

N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide (PubChem CID 60917725) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide
PubChem CID60917725
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide
SMILESCC(NC(=O)c1cccc(O)c1)c1ccc(CN)cc1
InChIInChI=1S/C16H18N2O2/c1-11(13-7-5-12(10-17)6-8-13)18-16(20)14-3-2-4-15(19)9-14/h2-9,11,19H,10,17H2,1H3,(H,18,20)
InChIKeyOOLOBQVGJZLOCG-UHFFFAOYSA-N
XLogP2.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
CID 86785759
N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
CID 99853114
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide
CID 54936164
4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 102851079
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 107863937
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-hydroxybenzamide
CID 171390389
3-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 60638374
(2R)-2-[(3-hydroxybenzoyl)amino]propanoic acid
CID 20848017
N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide
CID 60919316

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide (CID 60917725) is N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide is CC(NC(=O)c1cccc(O)c1)c1ccc(CN)cc1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide?
The InChIKey is OOLOBQVGJZLOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(13-7-5-12(10-17)6-8-13)18-16(20)14-3-2-4-15(19)9-14/h2-9,11,19H,10,17H2,1H3,(H,18,20).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide?
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 60917725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).