1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine

C17H25Cl2N — CID 107008986

IUPAC1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine
SMILESC=CCCCCCC(Cc1ccc(Cl)c(Cl)c1)NCC
InChIInChI=1S/C17H25Cl2N/c1-3-5-6-7-8-9-15(20-4-2)12-14-10-11-16(18)17(19)13-14/h3,10-11,13,15,20H,1,4-9,12H2,2H3
InChIKeyUTIMQUIXKZMNIA-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.65
Rot. Bonds10

About 1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine

1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine (PubChem CID 107008986) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine
PubChem CID107008986
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine
SMILESC=CCCCCCC(Cc1ccc(Cl)c(Cl)c1)NCC
InChIInChI=1S/C17H25Cl2N/c1-3-5-6-7-8-9-15(20-4-2)12-14-10-11-16(18)17(19)13-14/h3,10-11,13,15,20H,1,4-9,12H2,2H3
InChIKeyUTIMQUIXKZMNIA-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-fluorophenyl)non-8-en-2-amine
CID 107008868
1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine
CID 107009055
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 62604166
1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine
CID 103043062
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine
CID 107012123
1-(3,4-dichlorophenyl)heptan-2-ylhydrazine
CID 105210910
1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105136549
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine
CID 107009294
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143571

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine (CID 107008986) is 1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine is C=CCCCCCC(Cc1ccc(Cl)c(Cl)c1)NCC.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine?
The InChIKey is UTIMQUIXKZMNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-3-5-6-7-8-9-15(20-4-2)12-14-10-11-16(18)17(19)13-14/h3,10-11,13,15,20H,1,4-9,12H2,2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine?
1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine has a molecular weight of 314.30 g/mol, XLogP of 5.65, 10 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-ethylnon-8-en-2-amine is sourced from PubChem (CID 107008986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).