4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine

C17H19Cl2N — CID 107311080

IUPAC4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCNCC(CCc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-20-12-15(13-6-3-2-4-7-13)11-10-14-8-5-9-16(18)17(14)19/h2-9,15,20H,10-12H2,1H3
InChIKeyADIUYYHNIAJSFU-UHFFFAOYSA-N
MW308.25 g/mol
LogP4.93
Rot. Bonds6

About 4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine

4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 107311080) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine
PubChem CID107311080
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCNCC(CCc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-20-12-15(13-6-3-2-4-7-13)11-10-14-8-5-9-16(18)17(14)19/h2-9,15,20H,10-12H2,1H3
InChIKeyADIUYYHNIAJSFU-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-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

4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81023908
4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81024067
4-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 64503767
2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine
CID 107309633
4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine
CID 81028431
1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
CID 82290486
4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027454
N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 65429482
1,2-dichloro-3-(2-phenylethyl)benzene
CID 139886984
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine (CID 107311080) is 4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine is CNCC(CCc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is ADIUYYHNIAJSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-20-12-15(13-6-3-2-4-7-13)11-10-14-8-5-9-16(18)17(14)19/h2-9,15,20H,10-12H2,1H3.
What are the key properties of 4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine?
4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 107311080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).