1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine

C17H26ClN — CID 63415363

IUPAC1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccccc1Cl)CC1CCCCC1
InChIInChI=1S/C17H26ClN/c1-2-19-16(12-14-8-4-3-5-9-14)13-15-10-6-7-11-17(15)18/h6-7,10-11,14,16,19H,2-5,8-9,12-13H2,1H3
InChIKeyQHKMNKWJHOMGKJ-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.83
Rot. Bonds6

About 1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine

1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine (PubChem CID 63415363) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
PubChem CID63415363
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccccc1Cl)CC1CCCCC1
InChIInChI=1S/C17H26ClN/c1-2-19-16(12-14-8-4-3-5-9-14)13-15-10-6-7-11-17(15)18/h6-7,10-11,14,16,19H,2-5,8-9,12-13H2,1H3
InChIKeyQHKMNKWJHOMGKJ-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

1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 65459954
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine
CID 61064433
1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115841681
1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 64906804
1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105020439
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115841954
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine (CID 63415363) is 1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine is CCNC(Cc1ccccc1Cl)CC1CCCCC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine?
The InChIKey is QHKMNKWJHOMGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-2-19-16(12-14-8-4-3-5-9-14)13-15-10-6-7-11-17(15)18/h6-7,10-11,14,16,19H,2-5,8-9,12-13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine?
1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-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-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine is sourced from PubChem (CID 63415363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).