[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone

C15H19F2NO — CID 107514977

IUPAC[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2(CN)CCCCC2)c(F)c1F
InChIInChI=1S/C15H19F2NO/c1-10-5-6-11(13(17)12(10)16)14(19)15(9-18)7-3-2-4-8-15/h5-6H,2-4,7-9,18H2,1H3
InChIKeyFKWPLGQLIOCACA-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.37
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone

[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone (PubChem CID 107514977) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
PubChem CID107514977
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2(CN)CCCCC2)c(F)c1F
InChIInChI=1S/C15H19F2NO/c1-10-5-6-11(13(17)12(10)16)14(19)15(9-18)7-3-2-4-8-15/h5-6H,2-4,7-9,18H2,1H3
InChIKeyFKWPLGQLIOCACA-UHFFFAOYSA-N
XLogP3.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434920
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
[1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone
CID 116600758
[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone
CID 116600303
[4-(aminomethyl)oxan-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 116603183
[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
CID 116602023
[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
CID 116600777
1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013
[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 116603226

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone (CID 107514977) is [1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)C2(CN)CCCCC2)c(F)c1F.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone?
The InChIKey is FKWPLGQLIOCACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-10-5-6-11(13(17)12(10)16)14(19)15(9-18)7-3-2-4-8-15/h5-6H,2-4,7-9,18H2,1H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone?
[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone has a molecular weight of 267.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone is sourced from PubChem (CID 107514977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).