N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine

C17H23Cl2N — CID 63506622

IUPACN-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)C1=CCCCC1
InChIInChI=1S/C17H23Cl2N/c1-2-10-20-17(14-6-4-3-5-7-14)12-13-8-9-15(18)16(19)11-13/h6,8-9,11,17,20H,2-5,7,10,12H2,1H3
InChIKeyJEPRQUAVKPCTEH-UHFFFAOYSA-N
MW312.28 g/mol
LogP5.40
Rot. Bonds6

About N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine

N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine (PubChem CID 63506622) has the molecular formula C17H23Cl2N and a molecular weight of 312.28 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine
PubChem CID63506622
Molecular FormulaC17H23Cl2N
Molecular Weight312.28 g/mol
Exact Mass311.12
IUPAC NameN-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)C1=CCCCC1
InChIInChI=1S/C17H23Cl2N/c1-2-10-20-17(14-6-4-3-5-7-14)12-13-8-9-15(18)16(19)11-13/h6,8-9,11,17,20H,2-5,7,10,12H2,1H3
InChIKeyJEPRQUAVKPCTEH-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.28
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(cyclohexen-1-yl)-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 63505635
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061
N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105136520
N-[(3-chloro-4-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656180
1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106652787
N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine
CID 106652812
N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821315
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967
1-(cyclohexen-1-yl)-N-ethyl-2-naphthalen-2-ylethanamine
CID 106657295
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 62078170
N-[(4-chlorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106652441

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine (CID 63506622) is N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)c(Cl)c1)C1=CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine?
The InChIKey is JEPRQUAVKPCTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N/c1-2-10-20-17(14-6-4-3-5-7-14)12-13-8-9-15(18)16(19)11-13/h6,8-9,11,17,20H,2-5,7,10,12H2,1H3.
What are the key properties of N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine?
N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine has a molecular weight of 312.28 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63506622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).