1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine

C17H27N — CID 55188118

IUPAC1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
SMILESCCNC(Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C17H27N/c1-2-18-17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3,5-6,9-10,16-18H,2,4,7-8,11-14H2,1H3
InChIKeyWFWNDUDSATTZIS-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.18
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine

1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine (PubChem CID 55188118) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
PubChem CID55188118
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
SMILESCCNC(Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C17H27N/c1-2-18-17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3,5-6,9-10,16-18H,2,4,7-8,11-14H2,1H3
InChIKeyWFWNDUDSATTZIS-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
4-cyclopentyl-N-ethyl-1-phenylbutan-2-amine
CID 63526556
1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 65458139
1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61064502
N-ethyl-1-(oxolan-3-yl)-3-phenylpropan-2-amine
CID 103987146
1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363
1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977
1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103168468
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine?
The IUPAC name of 1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine (CID 55188118) is 1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine is CCNC(Cc1ccccc1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine?
The InChIKey is WFWNDUDSATTZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-18-17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3,5-6,9-10,16-18H,2,4,7-8,11-14H2,1H3.
What are the key properties of 1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine?
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine is sourced from PubChem (CID 55188118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).