N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine

C15H21ClFN — CID 63994116

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(Cl)c(F)c2)C(C)C1
InChIInChI=1S/C15H21ClFN/c1-10-3-6-15(11(2)7-10)18-9-12-4-5-13(16)14(17)8-12/h4-5,8,10-11,15,18H,3,6-7,9H2,1-2H3
InChIKeyONFYUBAZCSFXIT-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.39
Rot. Bonds3

About N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine

N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63994116) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63994116
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(Cl)c(F)c2)C(C)C1
InChIInChI=1S/C15H21ClFN/c1-10-3-6-15(11(2)7-10)18-9-12-4-5-13(16)14(17)8-12/h4-5,8,10-11,15,18H,3,6-7,9H2,1-2H3
InChIKeyONFYUBAZCSFXIT-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol
CID 113423514
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-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411830
N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995268
N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66474224
N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994093
N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994650
N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994455
3-chloro-N-[(4-chloro-3-fluorophenyl)methyl]cyclobutan-1-amine
CID 107887459
[(3S,4R)-4-[(4-chloro-3-fluorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513568

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 63994116) is N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NCc2ccc(Cl)c(F)c2)C(C)C1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is ONFYUBAZCSFXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-10-3-6-15(11(2)7-10)18-9-12-4-5-13(16)14(17)8-12/h4-5,8,10-11,15,18H,3,6-7,9H2,1-2H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63994116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).