(2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine

C16H23F2N — CID 107513467

IUPAC(2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine
SMILESCc1ccc(C(N)C2CCC(C)(C)CC2)c(F)c1F
InChIInChI=1S/C16H23F2N/c1-10-4-5-12(14(18)13(10)17)15(19)11-6-8-16(2,3)9-7-11/h4-5,11,15H,6-9,19H2,1-3H3
InChIKeyDYTDWNWAPBZULQ-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.49
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine

(2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine (PubChem CID 107513467) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine
PubChem CID107513467
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name(2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine
SMILESCc1ccc(C(N)C2CCC(C)(C)CC2)c(F)c1F
InChIInChI=1S/C16H23F2N/c1-10-4-5-12(14(18)13(10)17)15(19)11-6-8-16(2,3)9-7-11/h4-5,11,15H,6-9,19H2,1-3H3
InChIKeyDYTDWNWAPBZULQ-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107515949
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142839
(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 131568971
cyclobutyl-(2-fluoro-3-methylphenyl)methanamine
CID 112630963
(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine
CID 62965487
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253430
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794
cycloheptyl-(2,3,4-trifluorophenyl)methanamine
CID 65399083
(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 106942605
(4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65391223
2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515963

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine (CID 107513467) is (2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine is Cc1ccc(C(N)C2CCC(C)(C)CC2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine?
The InChIKey is DYTDWNWAPBZULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-10-4-5-12(14(18)13(10)17)15(19)11-6-8-16(2,3)9-7-11/h4-5,11,15H,6-9,19H2,1-3H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine?
(2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine has a molecular weight of 267.36 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 107513467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).