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

C18H21F2N — CID 64501624

IUPAC3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-2-12-21-18(15-6-4-3-5-7-15)11-9-14-8-10-16(19)17(20)13-14/h3-8,10,13,18,21H,2,9,11-12H2,1H3
InChIKeyHWZAFKQLGBTDKI-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.64
Rot. Bonds7

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

3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine (PubChem CID 64501624) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine
PubChem CID64501624
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-2-12-21-18(15-6-4-3-5-7-15)11-9-14-8-10-16(19)17(20)13-14/h3-8,10,13,18,21H,2,9,11-12H2,1H3
InChIKeyHWZAFKQLGBTDKI-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400239
N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine
CID 107129437
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036
3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400193
N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 43108094
3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine
CID 81028438
N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
CID 43494885
(3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 111449962
N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64648483
1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105076565
4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 103041652
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine (CID 64501624) is 3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine is CCCNC(CCc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine?
The InChIKey is HWZAFKQLGBTDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-2-12-21-18(15-6-4-3-5-7-15)11-9-14-8-10-16(19)17(20)13-14/h3-8,10,13,18,21H,2,9,11-12H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine?
3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.64, 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)-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 64501624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).