2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine

C16H24ClN — CID 116907408

IUPAC2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine
SMILESCN(C)C(CCl)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H24ClN/c1-18(2)16(12-17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13,16H,3-7,12H2,1-2H3
InChIKeyIFYKKDOSNVJOSP-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.58
Rot. Bonds4

About 2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine

2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine (PubChem CID 116907408) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine
PubChem CID116907408
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine
SMILESCN(C)C(CCl)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H24ClN/c1-18(2)16(12-17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13,16H,3-7,12H2,1-2H3
InChIKeyIFYKKDOSNVJOSP-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(4-cyclohexylphenyl)-(dimethylamino)methanethiol
CID 116909382
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine
CID 3066892
2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid
CID 82090569
1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one
CID 116859922
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 115263158
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene
CID 63432566
N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride
CID 3066893
2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine
CID 116907421
1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 43484996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine (CID 116907408) is 2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine is CN(C)C(CCl)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine?
The InChIKey is IFYKKDOSNVJOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-18(2)16(12-17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13,16H,3-7,12H2,1-2H3.
What are the key properties of 2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine?
2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine has a molecular weight of 265.83 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 116907408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).