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

C15H23Cl2N — CID 115850050

IUPAC1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H23Cl2N/c1-5-18-13(9-10-15(2,3)4)11-7-6-8-12(16)14(11)17/h6-8,13,18H,5,9-10H2,1-4H3
InChIKeyVGXLMJCURRYPKQ-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.47
Rot. Bonds5

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

1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine (PubChem CID 115850050) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
PubChem CID115850050
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H23Cl2N/c1-5-18-13(9-10-15(2,3)4)11-7-6-8-12(16)14(11)17/h6-8,13,18H,5,9-10H2,1-4H3
InChIKeyVGXLMJCURRYPKQ-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 55115861
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64712462
1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
1-(2-chloro-3-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849855
1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 114020071
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857101

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine (CID 115850050) is 1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine is CCNC(CCC(C)(C)C)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The InChIKey is VGXLMJCURRYPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-5-18-13(9-10-15(2,3)4)11-7-6-8-12(16)14(11)17/h6-8,13,18H,5,9-10H2,1-4H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine has a molecular weight of 288.26 g/mol, XLogP of 5.47, 5 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-ethyl-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 115850050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).