2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine

C15H18FN3 — CID 67634519

IUPAC2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine
SMILESNCC(Cc1cccnc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H18FN3/c16-14-5-3-12(4-6-14)11-19-15(9-17)8-13-2-1-7-18-10-13/h1-7,10,15,19H,8-9,11,17H2
InChIKeyIKVOBVFGVCTQCQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.88
Rot. Bonds6

About 2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine

2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine (PubChem CID 67634519) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine
PubChem CID67634519
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine
SMILESNCC(Cc1cccnc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H18FN3/c16-14-5-3-12(4-6-14)11-19-15(9-17)8-13-2-1-7-18-10-13/h1-7,10,15,19H,8-9,11,17H2
InChIKeyIKVOBVFGVCTQCQ-UHFFFAOYSA-N
XLogP1.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593
N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 14720329
N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409718
1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62553243
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
(4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine
CID 105206014
1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanamine
CID 93422741

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine (CID 67634519) is 2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine is NCC(Cc1cccnc1)NCc1ccc(F)cc1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine?
The InChIKey is IKVOBVFGVCTQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c16-14-5-3-12(4-6-14)11-19-15(9-17)8-13-2-1-7-18-10-13/h1-7,10,15,19H,8-9,11,17H2.
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine?
2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine has a molecular weight of 259.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine is sourced from PubChem (CID 67634519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).