(4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine

C15H21ClFN — CID 107993524

IUPAC(4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)CC(C(N)c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFN/c1-9-5-10(2)7-12(6-9)15(18)11-3-4-13(16)14(17)8-11/h3-4,8-10,12,15H,5-7,18H2,1-2H3
InChIKeyVFJLHPOGAXWVCW-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.55
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine

(4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine (PubChem CID 107993524) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine
PubChem CID107993524
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name(4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)CC(C(N)c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFN/c1-9-5-10(2)7-12(6-9)15(18)11-3-4-13(16)14(17)8-11/h3-4,8-10,12,15H,5-7,18H2,1-2H3
InChIKeyVFJLHPOGAXWVCW-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 114025177
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
(S)-(4-chloro-3-fluorophenyl)-(oxan-4-yl)methanamine
CID 131292483
1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
CID 103693328
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865
(4-chloro-3-fluorophenyl)-(oxan-3-yl)methanamine
CID 107996101
(4-chloro-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 107994506
(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130974244
(4-chloro-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107995602
(1R)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171249553
3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine
CID 71516473
1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115879137

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine (CID 107993524) is (4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine is CC1CC(C)CC(C(N)c2ccc(Cl)c(F)c2)C1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine?
The InChIKey is VFJLHPOGAXWVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-9-5-10(2)7-12(6-9)15(18)11-3-4-13(16)14(17)8-11/h3-4,8-10,12,15H,5-7,18H2,1-2H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine?
(4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine has a molecular weight of 269.79 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 107993524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).