N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine

C18H27Cl2N — CID 81034507

IUPACN-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H27Cl2N/c1-3-5-13-6-7-15(12-21-4-2)16(10-13)14-8-9-17(19)18(20)11-14/h8-9,11,13,15-16,21H,3-7,10,12H2,1-2H3
InChIKeyONCWAMLKBNXVFB-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.90
Rot. Bonds6

About N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine

N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine (PubChem CID 81034507) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
PubChem CID81034507
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC NameN-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H27Cl2N/c1-3-5-13-6-7-15(12-21-4-2)16(10-13)14-8-9-17(19)18(20)11-14/h8-9,11,13,15-16,21H,3-7,10,12H2,1-2H3
InChIKeyONCWAMLKBNXVFB-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029457
N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81033727
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742
N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026555
N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81017506
N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029161
N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
CID 116546505
N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 104516834
N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81035640
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029610
N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
CID 81022944
N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine
CID 107561131

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine (CID 81034507) is N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine is CCCC1CCC(CNCC)C(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine?
The InChIKey is ONCWAMLKBNXVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-3-5-13-6-7-15(12-21-4-2)16(10-13)14-8-9-17(19)18(20)11-14/h8-9,11,13,15-16,21H,3-7,10,12H2,1-2H3.
What are the key properties of N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine?
N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine has a molecular weight of 328.33 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81034507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).