N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide

C16H18N2O2 — CID 62105051

IUPACN-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(CN)ccc2C)cc1O
InChIInChI=1S/C16H18N2O2/c1-10-3-5-12(9-17)7-14(10)18-16(20)13-6-4-11(2)15(19)8-13/h3-8,19H,9,17H2,1-2H3,(H,18,20)
InChIKeyIUBQHCSPUZNFPX-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.72
Rot. Bonds3

About N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide

N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide (PubChem CID 62105051) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide
PubChem CID62105051
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(CN)ccc2C)cc1O
InChIInChI=1S/C16H18N2O2/c1-10-3-5-12(9-17)7-14(10)18-16(20)13-6-4-11(2)15(19)8-13/h3-8,19H,9,17H2,1-2H3,(H,18,20)
InChIKeyIUBQHCSPUZNFPX-UHFFFAOYSA-N
XLogP2.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
CID 62104670
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
N-[2-(aminomethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16772682
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
CID 62103226
4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide
CID 115161218
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 64792997
3-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881825
N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 104814446
N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 23768618

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide (CID 62105051) is N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(CN)ccc2C)cc1O.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is IUBQHCSPUZNFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-3-5-12(9-17)7-14(10)18-16(20)13-6-4-11(2)15(19)8-13/h3-8,19H,9,17H2,1-2H3,(H,18,20).
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide?
N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 62105051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).