N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine

C15H21F2N — CID 63994650

IUPACN-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2c(F)cccc2F)C(C)C1
InChIInChI=1S/C15H21F2N/c1-10-6-7-15(11(2)8-10)18-9-12-13(16)4-3-5-14(12)17/h3-5,10-11,15,18H,6-9H2,1-2H3
InChIKeyQQVPHVZSUJPYRN-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.88
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine

N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63994650) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63994650
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2c(F)cccc2F)C(C)C1
InChIInChI=1S/C15H21F2N/c1-10-6-7-15(11(2)8-10)18-9-12-13(16)4-3-5-14(12)17/h3-5,10-11,15,18H,6-9H2,1-2H3
InChIKeyQQVPHVZSUJPYRN-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-[(2,6-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710127
N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995268
N-[(2,6-difluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64732261
N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994116
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol
CID 113423514
N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 115652971
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501
N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994093
N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66414811
N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66161363
N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63996436

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 63994650) is N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NCc2c(F)cccc2F)C(C)C1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is QQVPHVZSUJPYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10-6-7-15(11(2)8-10)18-9-12-13(16)4-3-5-14(12)17/h3-5,10-11,15,18H,6-9H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
N-[(2,6-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-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63994650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).