3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine

C18H17N3O — CID 139370202

IUPAC3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine
SMILESNc1ccc(-c2ccccc2OCc2ccccc2)c(N)n1
InChIInChI=1S/C18H17N3O/c19-17-11-10-15(18(20)21-17)14-8-4-5-9-16(14)22-12-13-6-2-1-3-7-13/h1-11H,12H2,(H4,19,20,21)
InChIKeyXMLLSOORQDZOLX-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.49
Rot. Bonds4

About 3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine

3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine (PubChem CID 139370202) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine
PubChem CID139370202
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine
SMILESNc1ccc(-c2ccccc2OCc2ccccc2)c(N)n1
InChIInChI=1S/C18H17N3O/c19-17-11-10-15(18(20)21-17)14-8-4-5-9-16(14)22-12-13-6-2-1-3-7-13/h1-11H,12H2,(H4,19,20,21)
InChIKeyXMLLSOORQDZOLX-UHFFFAOYSA-N
XLogP3.49
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methylpropoxy)phenyl]pyridine-2,6-diamine
CID 139370148
4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride
CID 131854935
2-(2-phenylmethoxyphenyl)quinolin-4-amine
CID 175090092
2,3-diisocyano-1,4-bis(2-phenylmethoxyphenyl)benzene
CID 101487258
3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine
CID 139369576
3-chloro-5-(2-phenylmethoxyphenyl)pyridin-4-amine
CID 176729997
2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
CID 169396055
3-fluoro-5-(2-phenylmethoxyphenyl)pyridin-2-amine
CID 175669945
5-phenylmethoxyquinazoline-2,4-diamine
CID 11536300
3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine
CID 110186685
3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride
CID 156692785
6-(2-phenylmethoxyphenyl)naphthalen-2-amine
CID 172868680

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine?
The IUPAC name of 3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine (CID 139370202) is 3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine?
The canonical SMILES for 3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine is Nc1ccc(-c2ccccc2OCc2ccccc2)c(N)n1.
What is the InChIKey of 3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine?
The InChIKey is XMLLSOORQDZOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-17-11-10-15(18(20)21-17)14-8-4-5-9-16(14)22-12-13-6-2-1-3-7-13/h1-11H,12H2,(H4,19,20,21).
What are the key properties of 3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine?
3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine has a molecular weight of 291.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 139370202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).