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

C16H18N2O3 — CID 104847667

IUPACN-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide
SMILESCOc1cc(CN)ccc1NC(=O)c1cccc(O)c1C
InChIInChI=1S/C16H18N2O3/c1-10-12(4-3-5-14(10)19)16(20)18-13-7-6-11(9-17)8-15(13)21-2/h3-8,19H,9,17H2,1-2H3,(H,18,20)
InChIKeyXRCRJIZPMSXMCI-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.42
Rot. Bonds4

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

N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide (PubChem CID 104847667) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide
PubChem CID104847667
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide
SMILESCOc1cc(CN)ccc1NC(=O)c1cccc(O)c1C
InChIInChI=1S/C16H18N2O3/c1-10-12(4-3-5-14(10)19)16(20)18-13-7-6-11(9-17)8-15(13)21-2/h3-8,19H,9,17H2,1-2H3,(H,18,20)
InChIKeyXRCRJIZPMSXMCI-UHFFFAOYSA-N
XLogP2.42
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82827341
N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide
CID 107702112
N-[2-(2-aminoethoxy)phenyl]-3-hydroxy-2-methylbenzamide
CID 82809720
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130
N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide
CID 166361501
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide
CID 62505777
N-(4-cyano-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114343595
1-[4-(aminomethyl)-2-methoxyphenyl]-3-tert-butylurea
CID 113460330
3-[4-(aminomethyl)-2-methoxyphenyl]-1,1-diethylurea
CID 104848503
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 82808977

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide (CID 104847667) is N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide is COc1cc(CN)ccc1NC(=O)c1cccc(O)c1C.
What is the InChIKey of N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is XRCRJIZPMSXMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-12(4-3-5-14(10)19)16(20)18-13-7-6-11(9-17)8-15(13)21-2/h3-8,19H,9,17H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide?
N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 104847667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).