3-phenylmethoxy-4-pyridin-3-ylaniline

C18H16N2O — CID 118735165

IUPAC3-phenylmethoxy-4-pyridin-3-ylaniline
SMILESNc1ccc(-c2cccnc2)c(OCc2ccccc2)c1
InChIInChI=1S/C18H16N2O/c19-16-8-9-17(15-7-4-10-20-12-15)18(11-16)21-13-14-5-2-1-3-6-14/h1-12H,13,19H2
InChIKeyAWABUAVFINXSIH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.91
Rot. Bonds4

About 3-phenylmethoxy-4-pyridin-3-ylaniline

3-phenylmethoxy-4-pyridin-3-ylaniline (PubChem CID 118735165) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-phenylmethoxy-4-pyridin-3-ylaniline.

Molecular Properties

Compound Name3-phenylmethoxy-4-pyridin-3-ylaniline
PubChem CID118735165
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-phenylmethoxy-4-pyridin-3-ylaniline
SMILESNc1ccc(-c2cccnc2)c(OCc2ccccc2)c1
InChIInChI=1S/C18H16N2O/c19-16-8-9-17(15-7-4-10-20-12-15)18(11-16)21-13-14-5-2-1-3-6-14/h1-12H,13,19H2
InChIKeyAWABUAVFINXSIH-UHFFFAOYSA-N
XLogP3.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Pyridin-2-yloxy)aniline
CID 13150573
7-Benzyloxyquinoline
CID 3035604
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
2-amino-7-(diethylamino)-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile
CID 658614
2-amino-7-(dimethylamino)-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile
CID 9857237
2-amino-7-(dimethylamino)-4-(pyridin-4-yl)-4H-chromene-3-carbonitrile
CID 9857238
O-Benzyl Psilocin
CID 13566983
2,7-diamino-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile
CID 2839271
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
1-[2-Methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 25263310
N-(4-(benzyloxy)phenethyl)pyridin-4-amine
CID 44292136

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-4-pyridin-3-ylaniline?
The IUPAC name of 3-phenylmethoxy-4-pyridin-3-ylaniline (CID 118735165) is 3-phenylmethoxy-4-pyridin-3-ylaniline.
What is the SMILES notation for 3-phenylmethoxy-4-pyridin-3-ylaniline?
The canonical SMILES for 3-phenylmethoxy-4-pyridin-3-ylaniline is Nc1ccc(-c2cccnc2)c(OCc2ccccc2)c1.
What is the InChIKey of 3-phenylmethoxy-4-pyridin-3-ylaniline?
The InChIKey is AWABUAVFINXSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-16-8-9-17(15-7-4-10-20-12-15)18(11-16)21-13-14-5-2-1-3-6-14/h1-12H,13,19H2.
What are the key properties of 3-phenylmethoxy-4-pyridin-3-ylaniline?
3-phenylmethoxy-4-pyridin-3-ylaniline has a molecular weight of 276.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-4-pyridin-3-ylaniline is sourced from PubChem (CID 118735165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).