1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine

C18H21F2N — CID 63424857

IUPAC1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cccc(-c2cc(F)ccc2F)c1
InChIInChI=1S/C18H21F2N/c1-3-10-21-18(4-2)14-7-5-6-13(11-14)16-12-15(19)8-9-17(16)20/h5-9,11-12,18,21H,3-4,10H2,1-2H3
InChIKeyAFSJQLKGFHQVOT-UHFFFAOYSA-N
MW289.37 g/mol
LogP5.08
Rot. Bonds6

About 1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine

1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine (PubChem CID 63424857) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine
PubChem CID63424857
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cccc(-c2cc(F)ccc2F)c1
InChIInChI=1S/C18H21F2N/c1-3-10-21-18(4-2)14-7-5-6-13(11-14)16-12-15(19)8-9-17(16)20/h5-9,11-12,18,21H,3-4,10H2,1-2H3
InChIKeyAFSJQLKGFHQVOT-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.37
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424386
N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]propan-1-amine
CID 63423816
1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine
CID 63424575
1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine
CID 61033126
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine
CID 79735816
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64648483
1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
1-[3-(2-chloro-4,5-difluorophenyl)phenyl]-N-ethylpropan-1-amine
CID 107476919
3-[1-(3-fluorophenyl)propylamino]propanenitrile
CID 114871129
1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine
CID 62632746
N-[1-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105373665

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine (CID 63424857) is 1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1cccc(-c2cc(F)ccc2F)c1.
What is the InChIKey of 1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is AFSJQLKGFHQVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-10-21-18(4-2)14-7-5-6-13(11-14)16-12-15(19)8-9-17(16)20/h5-9,11-12,18,21H,3-4,10H2,1-2H3.
What are the key properties of 1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine?
1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 63424857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).