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

C17H19Cl2N — CID 63423946

IUPACN-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-3-11-20-12(2)13-7-9-14(10-8-13)15-5-4-6-16(18)17(15)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyDMBZMUKRUCSBKQ-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.72
Rot. Bonds5

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

N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine (PubChem CID 63423946) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine
PubChem CID63423946
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-3-11-20-12(2)13-7-9-14(10-8-13)15-5-4-6-16(18)17(15)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyDMBZMUKRUCSBKQ-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-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

N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63428205
N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424882
N-[1-[3-(3,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424974
N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
CID 63424587
N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63423947
N-[1-[4-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699320
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[1-[2-chloro-4-(2,3-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772141
N-[1-[3-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699561
N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504412
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine
CID 106646413

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine (CID 63423946) is N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine?
The InChIKey is DMBZMUKRUCSBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-11-20-12(2)13-7-9-14(10-8-13)15-5-4-6-16(18)17(15)19/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine?
N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63423946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).