(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine

C14H19Cl2N — CID 55185865

IUPAC(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H19Cl2N/c1-9-3-2-4-10(7-9)14(17)11-5-6-12(15)13(16)8-11/h5-6,8-10,14H,2-4,7,17H2,1H3
InChIKeyKZMXAAXVYYGAKW-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.82
Rot. Bonds2

About (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine

(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine (PubChem CID 55185865) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
PubChem CID55185865
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H19Cl2N/c1-9-3-2-4-10(7-9)14(17)11-5-6-12(15)13(16)8-11/h5-6,8-10,14H,2-4,7,17H2,1H3
InChIKeyKZMXAAXVYYGAKW-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
CID 55187547
(S)-(3-chloro-4-methylphenyl)-cyclobutylmethanamine;hydrochloride
CID 171224005
2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65321480
(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol
CID 65026372
(4-bromo-3-chlorophenyl)-cyclobutylmethanamine
CID 112630976
(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
CID 131581688
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187
(4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine
CID 107993524
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
(3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine
CID 65105141

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine (CID 55185865) is (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine is CC1CCCC(C(N)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine?
The InChIKey is KZMXAAXVYYGAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-9-3-2-4-10(7-9)14(17)11-5-6-12(15)13(16)8-11/h5-6,8-10,14H,2-4,7,17H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine?
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine has a molecular weight of 272.22 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 55185865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).