3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine

C15H16F2N2 — CID 62996546

IUPAC3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine
SMILESCC(Cc1ccc(F)cc1)Nc1cccc(F)c1N
InChIInChI=1S/C15H16F2N2/c1-10(9-11-5-7-12(16)8-6-11)19-14-4-2-3-13(17)15(14)18/h2-8,10,19H,9,18H2,1H3
InChIKeyPIHZCCGTOPJKNK-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.59
Rot. Bonds4

About 3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine

3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine (PubChem CID 62996546) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine
PubChem CID62996546
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine
SMILESCC(Cc1ccc(F)cc1)Nc1cccc(F)c1N
InChIInChI=1S/C15H16F2N2/c1-10(9-11-5-7-12(16)8-6-11)19-14-4-2-3-13(17)15(14)18/h2-8,10,19H,9,18H2,1H3
InChIKeyPIHZCCGTOPJKNK-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 54953307
3-fluoro-1-N-heptan-2-ylbenzene-1,2-diamine
CID 61464315
3-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylbenzene-1,3-diamine
CID 55140908
2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile
CID 60966388
3-fluoro-1-N-(3-methylpentan-2-yl)benzene-1,2-diamine
CID 61463530
3-fluoro-1-N-(2-methylpentan-3-yl)benzene-1,2-diamine
CID 61469418
1-N-(3,3-dimethylbutan-2-yl)-3-fluorobenzene-1,2-diamine
CID 104827436
2-fluoro-6-(1-phenylpropan-2-ylamino)benzoic acid
CID 79511012
3-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzene-1,3-diamine
CID 112647737
3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine
CID 54968206
4-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]benzoic acid
CID 82776318
3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 113325205

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine (CID 62996546) is 3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine is CC(Cc1ccc(F)cc1)Nc1cccc(F)c1N.
What is the InChIKey of 3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine?
The InChIKey is PIHZCCGTOPJKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-10(9-11-5-7-12(16)8-6-11)19-14-4-2-3-13(17)15(14)18/h2-8,10,19H,9,18H2,1H3.
What are the key properties of 3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine?
3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine has a molecular weight of 262.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine is sourced from PubChem (CID 62996546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).