3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine

C18H21F2N — CID 81028438

IUPAC3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-2-10-21-13-16(15-6-4-3-5-7-15)11-14-8-9-17(19)18(20)12-14/h3-9,12,16,21H,2,10-11,13H2,1H3
InChIKeyGBFPVSXDVZDBBC-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.29
Rot. Bonds7

About 3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine

3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine (PubChem CID 81028438) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine
PubChem CID81028438
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-2-10-21-13-16(15-6-4-3-5-7-15)11-14-8-9-17(19)18(20)12-14/h3-9,12,16,21H,2,10-11,13H2,1H3
InChIKeyGBFPVSXDVZDBBC-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
CID 65429859
2-[(3,4-difluorophenyl)methyl]-3-methyl-N-propylbutan-1-amine
CID 82930838
2-[(3,4-difluorophenyl)methyl]-4-methyl-N-propylpentan-1-amine
CID 82930933
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 79432118
3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 64501624
3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine
CID 81027985
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 81024674
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
2-phenyl-N-propylnonan-1-amine
CID 65429485
2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79438121
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine (CID 81028438) is 3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine is CCCNCC(Cc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine?
The InChIKey is GBFPVSXDVZDBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-2-10-21-13-16(15-6-4-3-5-7-15)11-14-8-9-17(19)18(20)12-14/h3-9,12,16,21H,2,10-11,13H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine?
3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 81028438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).