1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine

C17H26ClN — CID 63528999

IUPAC1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
SMILESCNC(CCC1CCCCC1)Cc1cccc(Cl)c1
InChIInChI=1S/C17H26ClN/c1-19-17(11-10-14-6-3-2-4-7-14)13-15-8-5-9-16(18)12-15/h5,8-9,12,14,17,19H,2-4,6-7,10-11,13H2,1H3
InChIKeyVSNCYNBOHLWAQZ-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.83
Rot. Bonds6

About 1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine

1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine (PubChem CID 63528999) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
PubChem CID63528999
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
SMILESCNC(CCC1CCCCC1)Cc1cccc(Cl)c1
InChIInChI=1S/C17H26ClN/c1-19-17(11-10-14-6-3-2-4-7-14)13-15-8-5-9-16(18)12-15/h5,8-9,12,14,17,19H,2-4,6-7,10-11,13H2,1H3
InChIKeyVSNCYNBOHLWAQZ-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine
CID 63526762
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 107312312
4-cyclohexyl-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61077655
1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362149
4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 115829566
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene
CID 63530757
1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474158
1-cyclohexyl-N-methyl-6-phenylhexan-3-amine
CID 115849338

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine (CID 63528999) is 1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine is CNC(CCC1CCCCC1)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine?
The InChIKey is VSNCYNBOHLWAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-19-17(11-10-14-6-3-2-4-7-14)13-15-8-5-9-16(18)12-15/h5,8-9,12,14,17,19H,2-4,6-7,10-11,13H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine?
1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine has a molecular weight of 279.85 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine is sourced from PubChem (CID 63528999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).