4-phenyl-2-pyridin-3-ylbutane-1,3-diamine

C15H19N3 — CID 20848340

IUPAC4-phenyl-2-pyridin-3-ylbutane-1,3-diamine
SMILESNCC(c1cccnc1)C(N)Cc1ccccc1
InChIInChI=1S/C15H19N3/c16-10-14(13-7-4-8-18-11-13)15(17)9-12-5-2-1-3-6-12/h1-8,11,14-15H,9-10,16-17H2
InChIKeyVVNJDNJMMQIOHA-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.69
Rot. Bonds5

About 4-phenyl-2-pyridin-3-ylbutane-1,3-diamine

4-phenyl-2-pyridin-3-ylbutane-1,3-diamine (PubChem CID 20848340) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-phenyl-2-pyridin-3-ylbutane-1,3-diamine.

Molecular Properties

Compound Name4-phenyl-2-pyridin-3-ylbutane-1,3-diamine
PubChem CID20848340
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-phenyl-2-pyridin-3-ylbutane-1,3-diamine
SMILESNCC(c1cccnc1)C(N)Cc1ccccc1
InChIInChI=1S/C15H19N3/c16-10-14(13-7-4-8-18-11-13)15(17)9-12-5-2-1-3-6-12/h1-8,11,14-15H,9-10,16-17H2
InChIKeyVVNJDNJMMQIOHA-UHFFFAOYSA-N
XLogP1.69
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
1-amino-2-pyridin-3-ylpentan-3-ol
CID 80523388
4,6-diphenylhexane-1,5-diamine
CID 19005200
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine
CID 43198863
3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523261
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-pyridin-3-ylbutane-1,3-diamine?
The IUPAC name of 4-phenyl-2-pyridin-3-ylbutane-1,3-diamine (CID 20848340) is 4-phenyl-2-pyridin-3-ylbutane-1,3-diamine.
What is the SMILES notation for 4-phenyl-2-pyridin-3-ylbutane-1,3-diamine?
The canonical SMILES for 4-phenyl-2-pyridin-3-ylbutane-1,3-diamine is NCC(c1cccnc1)C(N)Cc1ccccc1.
What is the InChIKey of 4-phenyl-2-pyridin-3-ylbutane-1,3-diamine?
The InChIKey is VVNJDNJMMQIOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-10-14(13-7-4-8-18-11-13)15(17)9-12-5-2-1-3-6-12/h1-8,11,14-15H,9-10,16-17H2.
What are the key properties of 4-phenyl-2-pyridin-3-ylbutane-1,3-diamine?
4-phenyl-2-pyridin-3-ylbutane-1,3-diamine has a molecular weight of 241.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-pyridin-3-ylbutane-1,3-diamine is sourced from PubChem (CID 20848340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).