3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine

C19H19N3O — CID 110186685

IUPAC3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine
SMILESNc1ccc(Cc2ccc(OCc3ccccc3)cc2)c(N)n1
InChIInChI=1S/C19H19N3O/c20-18-11-8-16(19(21)22-18)12-14-6-9-17(10-7-14)23-13-15-4-2-1-3-5-15/h1-11H,12-13H2,(H4,20,21,22)
InChIKeyZIJJMVIGHQAUTB-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.42
Rot. Bonds5

About 3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine

3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine (PubChem CID 110186685) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine
PubChem CID110186685
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine
SMILESNc1ccc(Cc2ccc(OCc3ccccc3)cc2)c(N)n1
InChIInChI=1S/C19H19N3O/c20-18-11-8-16(19(21)22-18)12-14-6-9-17(10-7-14)23-13-15-4-2-1-3-5-15/h1-11H,12-13H2,(H4,20,21,22)
InChIKeyZIJJMVIGHQAUTB-UHFFFAOYSA-N
XLogP3.42
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 159966727
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5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
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1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
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CID 54328540
6-phenylmethoxyisoquinolin-3-amine
CID 71742578
3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine
CID 139370202
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
4-(phenoxymethyl)aniline
CID 12712561
2-(4-phenylmethoxyphenyl)ethanethioamide
CID 24702892
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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine (CID 110186685) is 3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine is Nc1ccc(Cc2ccc(OCc3ccccc3)cc2)c(N)n1.
What is the InChIKey of 3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine?
The InChIKey is ZIJJMVIGHQAUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c20-18-11-8-16(19(21)22-18)12-14-6-9-17(10-7-14)23-13-15-4-2-1-3-5-15/h1-11H,12-13H2,(H4,20,21,22).
What are the key properties of 3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine?
3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine has a molecular weight of 305.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 110186685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).