1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine

C15H23Cl2N — CID 115833577

IUPAC1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H23Cl2N/c1-3-5-6-7-11-14(18-4-2)12-9-8-10-13(16)15(12)17/h8-10,14,18H,3-7,11H2,1-2H3
InChIKeyFXSBYQXMHIEXNZ-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.61
Rot. Bonds8

About 1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine

1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine (PubChem CID 115833577) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
PubChem CID115833577
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H23Cl2N/c1-3-5-6-7-11-14(18-4-2)12-9-8-10-13(16)15(12)17/h8-10,14,18H,3-7,11H2,1-2H3
InChIKeyFXSBYQXMHIEXNZ-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-(2-chloro-3-methylphenyl)-N-ethylpentan-1-amine
CID 115832857
1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850050
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105141909
N-ethyl-1-(2-iodophenyl)decan-1-amine
CID 115831642
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine (CID 115833577) is 1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine is CCCCCCC(NCC)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine?
The InChIKey is FXSBYQXMHIEXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-3-5-6-7-11-14(18-4-2)12-9-8-10-13(16)15(12)17/h8-10,14,18H,3-7,11H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine?
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine has a molecular weight of 288.26 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine is sourced from PubChem (CID 115833577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).