1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide

C16H24N2O2 — CID 62870974

IUPAC1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(CN)CCCCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-10-13(20-2)6-7-14(12)18-15(19)16(11-17)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11,17H2,1-2H3,(H,18,19)
InChIKeyGDIJWQVTIXPAAU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.85
Rot. Bonds4

About 1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 62870974) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
PubChem CID62870974
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(CN)CCCCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-10-13(20-2)6-7-14(12)18-15(19)16(11-17)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11,17H2,1-2H3,(H,18,19)
InChIKeyGDIJWQVTIXPAAU-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119788911
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
CID 80599519
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
3-ethyl-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
CID 63132813
1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 115437310
1-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)cycloheptane-1-carboxamide
CID 107592153
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
CID 111431601
methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride
CID 119678118
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(4-methoxy-2-methylphenyl)cyclobutane-1-carboxamide
CID 80597046
1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 115182516

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide (CID 62870974) is 1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2(CN)CCCCC2)c(C)c1.
What is the InChIKey of 1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is GDIJWQVTIXPAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-10-13(20-2)6-7-14(12)18-15(19)16(11-17)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11,17H2,1-2H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62870974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).