1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine

C15H13Cl2F2N — CID 107311717

IUPAC1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(F)c1F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2F2N/c16-12-5-1-3-9(14(12)17)7-11(20)8-10-4-2-6-13(18)15(10)19/h1-6,11H,7-8,20H2
InChIKeyBQZIKHSOUMAGGU-UHFFFAOYSA-N
MW316.18 g/mol
LogP4.38
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine

1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine (PubChem CID 107311717) has the molecular formula C15H13Cl2F2N and a molecular weight of 316.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
PubChem CID107311717
Molecular FormulaC15H13Cl2F2N
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(F)c1F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2F2N/c16-12-5-1-3-9(14(12)17)7-11(20)8-10-4-2-6-13(18)15(10)19/h1-6,11H,7-8,20H2
InChIKeyBQZIKHSOUMAGGU-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-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-(4-chlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 62601232
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 107309627
2-(2,3-dichlorophenyl)-1-(2,3-difluorophenyl)ethanol
CID 107307471
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine
CID 82805672
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115843743

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine (CID 107311717) is 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine is NC(Cc1cccc(F)c1F)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine?
The InChIKey is BQZIKHSOUMAGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2N/c16-12-5-1-3-9(14(12)17)7-11(20)8-10-4-2-6-13(18)15(10)19/h1-6,11H,7-8,20H2.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine?
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine has a molecular weight of 316.18 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine is sourced from PubChem (CID 107311717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).