1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide

C17H25FN2O — CID 115441667

IUPAC1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NC(C)c2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O/c1-12-7-9-17(11-19,10-8-12)16(21)20-13(2)14-5-3-4-6-15(14)18/h3-6,12-13H,7-11,19H2,1-2H3,(H,20,21)
InChIKeyHQKSMICLYQNYQZ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.16
Rot. Bonds4

About 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide (PubChem CID 115441667) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
PubChem CID115441667
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NC(C)c2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O/c1-12-7-9-17(11-19,10-8-12)16(21)20-13(2)14-5-3-4-6-15(14)18/h3-6,12-13H,7-11,19H2,1-2H3,(H,20,21)
InChIKeyHQKSMICLYQNYQZ-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115442483
1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115442476
1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 55037857
1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115453236
1-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115452365
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115448423
1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115447485
1-(aminomethyl)-N-(3-fluoro-2-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441999
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79527625
4-(aminomethyl)-N-[1-(2-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918974
4-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918857
4-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439459

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide (CID 115441667) is 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)NC(C)c2ccccc2F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is HQKSMICLYQNYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12-7-9-17(11-19,10-8-12)16(21)20-13(2)14-5-3-4-6-15(14)18/h3-6,12-13H,7-11,19H2,1-2H3,(H,20,21).
What are the key properties of 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).