(3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine

C16H24ClNO — CID 107560765

IUPAC(3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
SMILESCOC1(C(N)c2ccc(C)c(Cl)c2)CCCC(C)C1
InChIInChI=1S/C16H24ClNO/c1-11-5-4-8-16(10-11,19-3)15(18)13-7-6-12(2)14(17)9-13/h6-7,9,11,15H,4-5,8,10,18H2,1-3H3
InChIKeyHIIGRGLKWFCMGQ-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.24
Rot. Bonds3

About (3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine

(3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine (PubChem CID 107560765) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
PubChem CID107560765
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name(3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
SMILESCOC1(C(N)c2ccc(C)c(Cl)c2)CCCC(C)C1
InChIInChI=1S/C16H24ClNO/c1-11-5-4-8-16(10-11,19-3)15(18)13-7-6-12(2)14(17)9-13/h6-7,9,11,15H,4-5,8,10,18H2,1-3H3
InChIKeyHIIGRGLKWFCMGQ-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 116767627
(4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 116767593
[(4-chlorophenyl)-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 105277509
1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107560479
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421
(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 107129160
2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767463
[(3-chloro-4-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 107562491
2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767540
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116767757
(7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 114731470
(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine
CID 107560263

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine (CID 107560765) is (3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine is COC1(C(N)c2ccc(C)c(Cl)c2)CCCC(C)C1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine?
The InChIKey is HIIGRGLKWFCMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11-5-4-8-16(10-11,19-3)15(18)13-7-6-12(2)14(17)9-13/h6-7,9,11,15H,4-5,8,10,18H2,1-3H3.
What are the key properties of (3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine?
(3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine has a molecular weight of 281.83 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine is sourced from PubChem (CID 107560765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).