N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine

C17H25Cl2NO — CID 106827158

IUPACN-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)c(OC)cc1Cl)C1(C)CCCCC1
InChIInChI=1S/C17H25Cl2NO/c1-4-20-16(17(2)8-6-5-7-9-17)12-10-14(19)15(21-3)11-13(12)18/h10-11,16,20H,4-9H2,1-3H3
InChIKeyLCVQLOFIKXGJCR-UHFFFAOYSA-N
MW330.30 g/mol
LogP5.62
Rot. Bonds5

About N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine

N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine (PubChem CID 106827158) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine
PubChem CID106827158
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC NameN-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)c(OC)cc1Cl)C1(C)CCCCC1
InChIInChI=1S/C17H25Cl2NO/c1-4-20-16(17(2)8-6-5-7-9-17)12-10-14(19)15(21-3)11-13(12)18/h10-11,16,20H,4-9H2,1-3H3
InChIKeyLCVQLOFIKXGJCR-UHFFFAOYSA-N
XLogP5.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine 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

N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 107476482
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830788
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 103394756
N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 115801708
N-[(4-chloro-3-methoxyphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830322
(2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106828309
2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine
CID 83155291
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830652
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 106680802
N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine
CID 105035384
N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106827045
N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 82811953

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine (CID 106827158) is N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine is CCNC(c1cc(Cl)c(OC)cc1Cl)C1(C)CCCCC1.
What is the InChIKey of N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The InChIKey is LCVQLOFIKXGJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-4-20-16(17(2)8-6-5-7-9-17)12-10-14(19)15(21-3)11-13(12)18/h10-11,16,20H,4-9H2,1-3H3.
What are the key properties of N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine has a molecular weight of 330.30 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106827158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).