1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine

C14H19Cl2N — CID 79190086

IUPAC1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-4-17-12(7-10(2)3)8-11-5-6-13(15)14(16)9-11/h5-7,9,12,17H,4,8H2,1-3H3
InChIKeyDDSTYERULJDDDT-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.48
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine

1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine (PubChem CID 79190086) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
PubChem CID79190086
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-4-17-12(7-10(2)3)8-11-5-6-13(15)14(16)9-11/h5-7,9,12,17H,4,8H2,1-3H3
InChIKeyDDSTYERULJDDDT-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.48
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

1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
CID 105004706
N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine
CID 79190966
N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine
CID 79178623
1-(2,6-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63527991
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 62604166
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxyamino]propanal
CID 175095485
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine
CID 107008986
2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106827647
1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143571
1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724752

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine (CID 79190086) is 1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine is CCNC(C=C(C)C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine?
The InChIKey is DDSTYERULJDDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-4-17-12(7-10(2)3)8-11-5-6-13(15)14(16)9-11/h5-7,9,12,17H,4,8H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine?
1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine has a molecular weight of 272.22 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine is sourced from PubChem (CID 79190086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).