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

C15H21ClFN — CID 114025177

IUPAC(4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2ccc(Cl)c(F)c2)CC1C
InChIInChI=1S/C15H21ClFN/c1-9-3-4-11(7-10(9)2)15(18)12-5-6-13(16)14(17)8-12/h5-6,8-11,15H,3-4,7,18H2,1-2H3
InChIKeyKHSSXYAAEIQFQG-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.55
Rot. Bonds2

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

(4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine (PubChem CID 114025177) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
PubChem CID114025177
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name(4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2ccc(Cl)c(F)c2)CC1C
InChIInChI=1S/C15H21ClFN/c1-9-3-4-11(7-10(9)2)15(18)12-5-6-13(16)14(17)8-12/h5-6,8-11,15H,3-4,7,18H2,1-2H3
InChIKeyKHSSXYAAEIQFQG-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)-(3,5-dimethylcyclohexyl)methanamine
CID 107993524
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
(S)-(4-chloro-3-fluorophenyl)-(oxan-4-yl)methanamine
CID 131292483
(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine
CID 64738648
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837
(4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64740034
(4-chloro-3-fluorophenyl)-(oxan-3-yl)methanamine
CID 107996101
(3,4-dimethylcyclohexyl)-(3,5-dimethylphenyl)methanamine
CID 104989109
(4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989591
2-(3,4-dichlorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 64739450
1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
CID 103693328
(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
CID 171229648

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine (CID 114025177) is (4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine is CC1CCC(C(N)c2ccc(Cl)c(F)c2)CC1C.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine?
The InChIKey is KHSSXYAAEIQFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-9-3-4-11(7-10(9)2)15(18)12-5-6-13(16)14(17)8-12/h5-6,8-11,15H,3-4,7,18H2,1-2H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine?
(4-chloro-3-fluorophenyl)-(3,4-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)-(3,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 114025177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).