4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine

C18H17N3O2 — CID 89083027

IUPAC4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine
SMILESNc1ccc(Oc2ccc(OCc3cccnc3)cc2)c(N)c1
InChIInChI=1S/C18H17N3O2/c19-14-3-8-18(17(20)10-14)23-16-6-4-15(5-7-16)22-12-13-2-1-9-21-11-13/h1-11H,12,19-20H2
InChIKeyWVNOFPBCVNOFOI-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.62
Rot. Bonds5

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

4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine (PubChem CID 89083027) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine
PubChem CID89083027
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine
SMILESNc1ccc(Oc2ccc(OCc3cccnc3)cc2)c(N)c1
InChIInChI=1S/C18H17N3O2/c19-14-3-8-18(17(20)10-14)23-16-6-4-15(5-7-16)22-12-13-2-1-9-21-11-13/h1-11H,12,19-20H2
InChIKeyWVNOFPBCVNOFOI-UHFFFAOYSA-N
XLogP3.62
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(pyridin-3-ylmethoxy)benzene-1,3-diamine
CID 89082993
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
4-bromo-3-(pyridin-3-ylmethoxy)aniline
CID 103009337
2-[4-(pyridin-3-ylmethoxy)phenoxy]pyrazine
CID 167789022
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
CID 107498882
3-fluoro-4-[4-(pyridin-3-ylmethylamino)phenoxy]aniline
CID 22663893
4-(2,4-diaminophenoxy)phenol
CID 19971372
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
CID 24696796
5-(difluoromethyl)-2-(4-phenylmethoxyphenoxy)aniline
CID 141002998

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine?
The IUPAC name of 4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine (CID 89083027) is 4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine.
What is the SMILES notation for 4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine?
The canonical SMILES for 4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine is Nc1ccc(Oc2ccc(OCc3cccnc3)cc2)c(N)c1.
What is the InChIKey of 4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine?
The InChIKey is WVNOFPBCVNOFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-14-3-8-18(17(20)10-14)23-16-6-4-15(5-7-16)22-12-13-2-1-9-21-11-13/h1-11H,12,19-20H2.
What are the key properties of 4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine?
4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine has a molecular weight of 307.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine is sourced from PubChem (CID 89083027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).