1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine

C18H21F2N — CID 62601665

IUPAC1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1)Cc1cccc(F)c1F
InChIInChI=1S/C18H21F2N/c1-2-11-21-16(12-14-7-4-3-5-8-14)13-15-9-6-10-17(19)18(15)20/h3-10,16,21H,2,11-13H2,1H3
InChIKeyYVSPDIMGEDQROD-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.12
Rot. Bonds7

About 1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine

1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine (PubChem CID 62601665) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
PubChem CID62601665
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1)Cc1cccc(F)c1F
InChIInChI=1S/C18H21F2N/c1-2-11-21-16(12-14-7-4-3-5-8-14)13-15-9-6-10-17(19)18(15)20/h3-10,16,21H,2,11-13H2,1H3
InChIKeyYVSPDIMGEDQROD-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-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-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 115845113
1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 55094101
1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
CID 60817947
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 62605093
1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864310
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 63417230
5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 64718771
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine (CID 62601665) is 1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine is CCCNC(Cc1ccccc1)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine?
The InChIKey is YVSPDIMGEDQROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-2-11-21-16(12-14-7-4-3-5-8-14)13-15-9-6-10-17(19)18(15)20/h3-10,16,21H,2,11-13H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine?
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine has a molecular weight of 289.37 g/mol, XLogP of 4.12, 7 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-phenyl-N-propylpropan-2-amine is sourced from PubChem (CID 62601665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).