2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide

C15H21FN2O — CID 86790304

IUPAC2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide
SMILESCc1ccc(F)cc1CNC1CCCCC1C(N)=O
InChIInChI=1S/C15H21FN2O/c1-10-6-7-12(16)8-11(10)9-18-14-5-3-2-4-13(14)15(17)19/h6-8,13-14,18H,2-5,9H2,1H3,(H2,17,19)
InChIKeyCLKOYRWLIATACN-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.27
Rot. Bonds4

About 2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide

2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide (PubChem CID 86790304) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide
PubChem CID86790304
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide
SMILESCc1ccc(F)cc1CNC1CCCCC1C(N)=O
InChIInChI=1S/C15H21FN2O/c1-10-6-7-12(16)8-11(10)9-18-14-5-3-2-4-13(14)15(17)19/h6-8,13-14,18H,2-5,9H2,1H3,(H2,17,19)
InChIKeyCLKOYRWLIATACN-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 99586249
2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 86790349
N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115968089
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 71871357
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
CID 115968324
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115968191
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide
CID 86802324
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 114349118
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide (CID 86790304) is 2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide is Cc1ccc(F)cc1CNC1CCCCC1C(N)=O.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is CLKOYRWLIATACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-6-7-12(16)8-11(10)9-18-14-5-3-2-4-13(14)15(17)19/h6-8,13-14,18H,2-5,9H2,1H3,(H2,17,19).
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide?
2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 86790304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).