5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine

C20H20FN3 — CID 57304558

IUPAC5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine
SMILESNc1cc(NCCCc2ccccc2)c(-c2ccccc2F)cn1
InChIInChI=1S/C20H20FN3/c21-18-11-5-4-10-16(18)17-14-24-20(22)13-19(17)23-12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,13-14H,6,9,12H2,(H3,22,23,24)
InChIKeyBBPWWCPQELTCGB-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.51
Rot. Bonds6

About 5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine

5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine (PubChem CID 57304558) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine
PubChem CID57304558
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine
SMILESNc1cc(NCCCc2ccccc2)c(-c2ccccc2F)cn1
InChIInChI=1S/C20H20FN3/c21-18-11-5-4-10-16(18)17-14-24-20(22)13-19(17)23-12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,13-14H,6,9,12H2,(H3,22,23,24)
InChIKeyBBPWWCPQELTCGB-UHFFFAOYSA-N
XLogP4.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931336
2,4,5-trifluoro-N-(3-phenylpropyl)aniline
CID 55118204
2-fluoro-5-methyl-N-(3-phenylpropyl)aniline
CID 28877675
2-chloro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54944572
2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline
CID 63462918
5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 63208283
2,6-difluoro-N-(4-phenylbutyl)aniline
CID 114333174
2,5-dichloro-N-(3-phenylpropyl)aniline
CID 29049060
N-(3-phenylpropyl)-2-thiophen-2-ylaniline
CID 43724448
N-[3-(4-fluorophenyl)propyl]aniline
CID 91405958
2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide
CID 138674577
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine?
The IUPAC name of 5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine (CID 57304558) is 5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine.
What is the SMILES notation for 5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine?
The canonical SMILES for 5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine is Nc1cc(NCCCc2ccccc2)c(-c2ccccc2F)cn1.
What is the InChIKey of 5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine?
The InChIKey is BBPWWCPQELTCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c21-18-11-5-4-10-16(18)17-14-24-20(22)13-19(17)23-12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,13-14H,6,9,12H2,(H3,22,23,24).
What are the key properties of 5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine?
5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine has a molecular weight of 321.40 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine is sourced from PubChem (CID 57304558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).