4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine

C21H24N4O — CID 145371683

IUPAC4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine
SMILESNc1cc(C(CCOCc2ccccc2)c2ccccc2)c(N)c(N)n1
InChIInChI=1S/C21H24N4O/c22-19-13-18(20(23)21(24)25-19)17(16-9-5-2-6-10-16)11-12-26-14-15-7-3-1-4-8-15/h1-10,13,17H,11-12,14,23H2,(H4,22,24,25)
InChIKeyGJQHJXJMHKWGIM-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.57
Rot. Bonds7

About 4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine

4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine (PubChem CID 145371683) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine
PubChem CID145371683
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine
SMILESNc1cc(C(CCOCc2ccccc2)c2ccccc2)c(N)c(N)n1
InChIInChI=1S/C21H24N4O/c22-19-13-18(20(23)21(24)25-19)17(16-9-5-2-6-10-16)11-12-26-14-15-7-3-1-4-8-15/h1-10,13,17H,11-12,14,23H2,(H4,22,24,25)
InChIKeyGJQHJXJMHKWGIM-UHFFFAOYSA-N
XLogP3.57
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride
CID 131854935
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(2R)-2-amino-4-phenylmethoxybutanoic acid
CID 51340689
1-fluoro-4-phenylmethoxybutan-2-amine
CID 172858311
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine
CID 69422231
6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
CID 155896810
[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
CID 125475539
O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine
CID 14814233
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine?
The IUPAC name of 4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine (CID 145371683) is 4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine?
The canonical SMILES for 4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine is Nc1cc(C(CCOCc2ccccc2)c2ccccc2)c(N)c(N)n1.
What is the InChIKey of 4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine?
The InChIKey is GJQHJXJMHKWGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-19-13-18(20(23)21(24)25-19)17(16-9-5-2-6-10-16)11-12-26-14-15-7-3-1-4-8-15/h1-10,13,17H,11-12,14,23H2,(H4,22,24,25).
What are the key properties of 4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine?
4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine has a molecular weight of 348.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 145371683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).