1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine

C15H14Cl2FN — CID 55096491

IUPAC1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C15H14Cl2FN/c1-15(19,11-3-2-4-12(18)8-11)9-10-5-6-13(16)14(17)7-10/h2-8H,9,19H2,1H3
InChIKeyBSCKYKNFTINRKQ-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.55
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine

1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine (PubChem CID 55096491) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine
PubChem CID55096491
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C15H14Cl2FN/c1-15(19,11-3-2-4-12(18)8-11)9-10-5-6-13(16)14(17)7-10/h2-8H,9,19H2,1H3
InChIKeyBSCKYKNFTINRKQ-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)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

1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
1-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 82920377
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62621068
1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene
CID 79444036
2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine
CID 114834072
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine
CID 62621995
1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine
CID 114833794
2-(3-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 55187527
1-(3,4-difluorophenyl)-2-phenylpropan-2-amine
CID 82919895
2-(3-fluorophenyl)pent-4-en-2-amine
CID 130059150
1-(4-chlorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 60798764

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine (CID 55096491) is 1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine is CC(N)(Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine?
The InChIKey is BSCKYKNFTINRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-15(19,11-3-2-4-12(18)8-11)9-10-5-6-13(16)14(17)7-10/h2-8H,9,19H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine?
1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine has a molecular weight of 298.19 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 55096491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).