N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine

C17H26ClN — CID 43079434

IUPACN-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)c2ccccc2Cl)CC1
InChIInChI=1S/C17H26ClN/c1-3-6-14-9-11-15(12-10-14)19-13(2)16-7-4-5-8-17(16)18/h4-5,7-8,13-15,19H,3,6,9-12H2,1-2H3
InChIKeyLUOGAEZTZNDSJH-UHFFFAOYSA-N
MW279.85 g/mol
LogP5.35
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine

N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine (PubChem CID 43079434) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
PubChem CID43079434
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)c2ccccc2Cl)CC1
InChIInChI=1S/C17H26ClN/c1-3-6-14-9-11-15(12-10-14)19-13(2)16-7-4-5-8-17(16)18/h4-5,7-8,13-15,19H,3,6,9-12H2,1-2H3
InChIKeyLUOGAEZTZNDSJH-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

N-[(1R)-1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 29040454
1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine
CID 43748320
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
4-tert-butyl-N-[1-(2-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089807
1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine
CID 81377651
N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103711361
(2-chlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65422989
N-[1-(2-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981846
2-[1-[(4-propylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107710869
N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81377645

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine (CID 43079434) is N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NC(C)c2ccccc2Cl)CC1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine?
The InChIKey is LUOGAEZTZNDSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-3-6-14-9-11-15(12-10-14)19-13(2)16-7-4-5-8-17(16)18/h4-5,7-8,13-15,19H,3,6,9-12H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine?
N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine has a molecular weight of 279.85 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 43079434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).