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

C17H26ClN — CID 115811982

IUPAC1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN/c1-2-19-17(15-9-6-10-16(18)13-15)12-11-14-7-4-3-5-8-14/h6,9-10,13-14,17,19H,2-5,7-8,11-12H2,1H3
InChIKeyNATGSZXHHHTXSD-UHFFFAOYSA-N
MW279.85 g/mol
LogP5.35
Rot. Bonds6

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

1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine (PubChem CID 115811982) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
PubChem CID115811982
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN/c1-2-19-17(15-9-6-10-16(18)13-15)12-11-14-7-4-3-5-8-14/h6,9-10,13-14,17,19H,2-5,7-8,11-12H2,1H3
InChIKeyNATGSZXHHHTXSD-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.85
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 79746697
3-cyclopentyl-1-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
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1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
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1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
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1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103538970
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine (CID 115811982) is 1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine is CCNC(CCC1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine?
The InChIKey is NATGSZXHHHTXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-2-19-17(15-9-6-10-16(18)13-15)12-11-14-7-4-3-5-8-14/h6,9-10,13-14,17,19H,2-5,7-8,11-12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine?
1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine has a molecular weight of 279.85 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine is sourced from PubChem (CID 115811982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).