1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine

C16H24ClN — CID 115842241

IUPAC1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H24ClN/c1-12-8-9-14(11-15(12)17)16(18-2)10-13-6-4-3-5-7-13/h8-9,11,13,16,18H,3-7,10H2,1-2H3
InChIKeyODRWCOUAMZPSBI-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.88
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine

1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine (PubChem CID 115842241) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
PubChem CID115842241
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H24ClN/c1-12-8-9-14(11-15(12)17)16(18-2)10-13-6-4-3-5-7-13/h8-9,11,13,16,18H,3-7,10H2,1-2H3
InChIKeyODRWCOUAMZPSBI-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-chloro-4-methylphenyl)-2-cyclobutylethyl]hydrazine
CID 105310083
2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81491759
1-(3-chloro-4-iodophenyl)-2-cyclobutyl-N-methylethanamine
CID 103215395
1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
CID 107562179
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine
CID 103215428
2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 114457518
1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine
CID 115842237
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545
2-cycloheptyl-1-(3-ethylphenyl)-N-methylethanamine
CID 105018546
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine (CID 115842241) is 1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine is CNC(CC1CCCCC1)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine?
The InChIKey is ODRWCOUAMZPSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12-8-9-14(11-15(12)17)16(18-2)10-13-6-4-3-5-7-13/h8-9,11,13,16,18H,3-7,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine?
1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine has a molecular weight of 265.83 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine is sourced from PubChem (CID 115842241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).