1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide

C16H23FN2O2 — CID 115441980

IUPAC1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C16H23FN2O2/c1-11-5-7-16(10-18,8-6-11)15(20)19-13-4-3-12(17)9-14(13)21-2/h3-4,9,11H,5-8,10,18H2,1-2H3,(H,19,20)
InChIKeyUJSVAHPAKHPGLT-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.93
Rot. Bonds4

About 1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 115441980) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide
PubChem CID115441980
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C16H23FN2O2/c1-11-5-7-16(10-18,8-6-11)15(20)19-13-4-3-12(17)9-14(13)21-2/h3-4,9,11H,5-8,10,18H2,1-2H3,(H,19,20)
InChIKeyUJSVAHPAKHPGLT-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(3,5-difluorophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441375
methyl 2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoate
CID 115452631
1-(aminomethyl)-N-(3-fluoro-2-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441999
1-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441616
1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
CID 80586877
1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 115182516
1-(aminomethyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115182668
1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115442356
1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441642
1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848800
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoic acid
CID 113312903
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(2-bromo-5-fluorophenyl)ethanone
CID 116604069

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide (CID 115441980) is 1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide is COc1cc(F)ccc1NC(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is UJSVAHPAKHPGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11-5-7-16(10-18,8-6-11)15(20)19-13-4-3-12(17)9-14(13)21-2/h3-4,9,11H,5-8,10,18H2,1-2H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.93, 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-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).