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

C18H21Cl2N — CID 107308428

IUPACN-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)c1ccccc1C
InChIInChI=1S/C18H21Cl2N/c1-3-11-21-17(15-9-5-4-7-13(15)2)12-14-8-6-10-16(19)18(14)20/h4-10,17,21H,3,11-12H2,1-2H3
InChIKeyJPDNWPHYVYSRKH-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.59
Rot. Bonds6

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

N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 107308428) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID107308428
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC NameN-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)c1ccccc1C
InChIInChI=1S/C18H21Cl2N/c1-3-11-21-17(15-9-5-4-7-13(15)2)12-14-8-6-10-16(19)18(14)20/h4-10,17,21H,3,11-12H2,1-2H3
InChIKeyJPDNWPHYVYSRKH-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)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-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 106866272
N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 102618617
N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 107308457
N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine
CID 107308391
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63416853
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63415263

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine (CID 107308428) is N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1Cl)c1ccccc1C.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is JPDNWPHYVYSRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-3-11-21-17(15-9-5-4-7-13(15)2)12-14-8-6-10-16(19)18(14)20/h4-10,17,21H,3,11-12H2,1-2H3.
What are the key properties of N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 322.28 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107308428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).