1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine

C15H13F4N — CID 115845161

IUPAC1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(F)c1F)Cc1c(F)cccc1F
InChIInChI=1S/C15H13F4N/c16-12-4-2-5-13(17)11(12)8-10(20)7-9-3-1-6-14(18)15(9)19/h1-6,10H,7-8,20H2
InChIKeyXNEVRZYTBCRJEQ-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.36
Rot. Bonds4

About 1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine

1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine (PubChem CID 115845161) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
PubChem CID115845161
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(F)c1F)Cc1c(F)cccc1F
InChIInChI=1S/C15H13F4N/c16-12-4-2-5-13(17)11(12)8-10(20)7-9-3-1-6-14(18)15(9)19/h1-6,10H,7-8,20H2
InChIKeyXNEVRZYTBCRJEQ-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-difluorophenyl)-3-(2,6-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-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717
1-(4-chlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 62601232
1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115843743
1-(5-bromo-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115839557
1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115839093
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(2,3-difluorophenyl)non-8-en-2-amine
CID 107011377
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 62829669

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine (CID 115845161) is 1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine is NC(Cc1cccc(F)c1F)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine?
The InChIKey is XNEVRZYTBCRJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c16-12-4-2-5-13(17)11(12)8-10(20)7-9-3-1-6-14(18)15(9)19/h1-6,10H,7-8,20H2.
What are the key properties of 1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine?
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine has a molecular weight of 283.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine is sourced from PubChem (CID 115845161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).