4-(pyridin-3-ylmethoxy)benzene-1,3-diamine

C12H13N3O — CID 89082993

IUPAC4-(pyridin-3-ylmethoxy)benzene-1,3-diamine
SMILESNc1ccc(OCc2cccnc2)c(N)c1
InChIInChI=1S/C12H13N3O/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h1-7H,8,13-14H2
InChIKeyTVGRUBBBVBJGQS-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.83
Rot. Bonds3

About 4-(pyridin-3-ylmethoxy)benzene-1,3-diamine

4-(pyridin-3-ylmethoxy)benzene-1,3-diamine (PubChem CID 89082993) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethoxy)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(pyridin-3-ylmethoxy)benzene-1,3-diamine
PubChem CID89082993
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-(pyridin-3-ylmethoxy)benzene-1,3-diamine
SMILESNc1ccc(OCc2cccnc2)c(N)c1
InChIInChI=1S/C12H13N3O/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h1-7H,8,13-14H2
InChIKeyTVGRUBBBVBJGQS-UHFFFAOYSA-N
XLogP1.83
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine
CID 89083027
4-bromo-3-(pyridin-3-ylmethoxy)aniline
CID 103009337
4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
CID 107498882
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
8-(pyridin-3-ylmethoxy)quinolin-5-amine
CID 60863689
3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
CID 63690803
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3-[(4-ethyl-2-methylphenoxy)methyl]pyridine
CID 176960080
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
4-[(3-chlorophenyl)methoxy]pyridin-3-amine
CID 65126775

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethoxy)benzene-1,3-diamine?
The IUPAC name of 4-(pyridin-3-ylmethoxy)benzene-1,3-diamine (CID 89082993) is 4-(pyridin-3-ylmethoxy)benzene-1,3-diamine.
What is the SMILES notation for 4-(pyridin-3-ylmethoxy)benzene-1,3-diamine?
The canonical SMILES for 4-(pyridin-3-ylmethoxy)benzene-1,3-diamine is Nc1ccc(OCc2cccnc2)c(N)c1.
What is the InChIKey of 4-(pyridin-3-ylmethoxy)benzene-1,3-diamine?
The InChIKey is TVGRUBBBVBJGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h1-7H,8,13-14H2.
What are the key properties of 4-(pyridin-3-ylmethoxy)benzene-1,3-diamine?
4-(pyridin-3-ylmethoxy)benzene-1,3-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethoxy)benzene-1,3-diamine is sourced from PubChem (CID 89082993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).