1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide

C17H25FN2O — CID 115442476

IUPAC1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N[C@H](C)c2cccc(F)c2)CC1
InChIInChI=1S/C17H25FN2O/c1-12-6-8-17(11-19,9-7-12)16(21)20-13(2)14-4-3-5-15(18)10-14/h3-5,10,12-13H,6-9,11,19H2,1-2H3,(H,20,21)/t12?,13-,17?/m1/s1
InChIKeyCNFSBRQKSCJPHC-UIORMTCPSA-N
MW292.40 g/mol
LogP3.16
Rot. Bonds4

About 1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide (PubChem CID 115442476) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
PubChem CID115442476
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N[C@H](C)c2cccc(F)c2)CC1
InChIInChI=1S/C17H25FN2O/c1-12-6-8-17(11-19,9-7-12)16(21)20-13(2)14-4-3-5-15(18)10-14/h3-5,10,12-13H,6-9,11,19H2,1-2H3,(H,20,21)/t12?,13-,17?/m1/s1
InChIKeyCNFSBRQKSCJPHC-UIORMTCPSA-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)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80587906
1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115441667
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 113313018
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 115452527
1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115442483
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
CID 113311577
1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 115441440
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119716410
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide
CID 115444286
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide (CID 115442476) is 1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)N[C@H](C)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is CNFSBRQKSCJPHC-UIORMTCPSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12-6-8-17(11-19,9-7-12)16(21)20-13(2)14-4-3-5-15(18)10-14/h3-5,10,12-13H,6-9,11,19H2,1-2H3,(H,20,21)/t12?,13-,17?/m1/s1.
What are the key properties of 1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-[(1R)-1-(3-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-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115442476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).