N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine

C18H26ClN — CID 81029797

IUPACN-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H26ClN/c1-2-13-3-4-15(12-20-17-9-10-17)18(11-13)14-5-7-16(19)8-6-14/h5-8,13,15,17-18,20H,2-4,9-12H2,1H3
InChIKeySXCMJKRXQVDONI-UHFFFAOYSA-N
MW291.87 g/mol
LogP5.00
Rot. Bonds5

About N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine

N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81029797) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
PubChem CID81029797
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC NameN-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H26ClN/c1-2-13-3-4-15(12-20-17-9-10-17)18(11-13)14-5-7-16(19)8-6-14/h5-8,13,15,17-18,20H,2-4,9-12H2,1H3
InChIKeySXCMJKRXQVDONI-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.87
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81034644
N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 107361282
N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025016
N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026555
N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 114667485
N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81032528
1-[2-(3,4-difluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031851
N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030101
1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene
CID 57222573
N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81035640
1-[2-(4-ethoxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031773
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81030099

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine (CID 81029797) is N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine is CCC1CCC(CNC2CC2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is SXCMJKRXQVDONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN/c1-2-13-3-4-15(12-20-17-9-10-17)18(11-13)14-5-7-16(19)8-6-14/h5-8,13,15,17-18,20H,2-4,9-12H2,1H3.
What are the key properties of N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 291.87 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81029797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).