N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine

C15H21F2N — CID 63995268

IUPACN-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(F)cc2F)C(C)C1
InChIInChI=1S/C15H21F2N/c1-10-3-6-15(11(2)7-10)18-9-12-4-5-13(16)8-14(12)17/h4-5,8,10-11,15,18H,3,6-7,9H2,1-2H3
InChIKeyGXSOCVUESTYWHT-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.88
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine

N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63995268) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63995268
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(F)cc2F)C(C)C1
InChIInChI=1S/C15H21F2N/c1-10-3-6-15(11(2)7-10)18-9-12-4-5-13(16)8-14(12)17/h4-5,8,10-11,15,18H,3,6-7,9H2,1-2H3
InChIKeyGXSOCVUESTYWHT-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908869
(3R,4S)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine;(3S,4R)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 159445315
N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994116
N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994650
N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 62223825
N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66161363
N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline
CID 64775137
2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 43433182
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol
CID 113423514
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 114749969
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 63995268) is N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NCc2ccc(F)cc2F)C(C)C1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is GXSOCVUESTYWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10-3-6-15(11(2)7-10)18-9-12-4-5-13(16)8-14(12)17/h4-5,8,10-11,15,18H,3,6-7,9H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63995268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).