3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine

C20H19N3O — CID 20716495

IUPAC3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine
SMILESC/C(=N\c1cccnc1N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H19N3O/c1-15(23-19-8-5-13-22-20(19)21)17-9-11-18(12-10-17)24-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H2,21,22)/b23-15+
InChIKeyCAGBLPXSZDVTQG-HZHRSRAPSA-N
MW317.39 g/mol
LogP4.38
Rot. Bonds5

About 3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine

3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine (PubChem CID 20716495) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine
PubChem CID20716495
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine
SMILESC/C(=N\c1cccnc1N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H19N3O/c1-15(23-19-8-5-13-22-20(19)21)17-9-11-18(12-10-17)24-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H2,21,22)/b23-15+
InChIKeyCAGBLPXSZDVTQG-HZHRSRAPSA-N
XLogP4.38
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine
CID 177429054
1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene
CID 174702453
(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24709882
1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783
4-phenylmethoxyaniline
CID 159966727
4-phenylmethoxybenzoic acid
CID 68896574
(Z)-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methylidene]hydrazine
CID 134121607
4-phenylmethoxy-N'-propylbenzenecarboximidamide
CID 57153315
acetamido 4-phenylmethoxybenzoate
CID 174287466
ethane;molecular hydrogen;4-phenylmethoxyaniline
CID 142075027
3-[amino-[(Z)-1-amino-3-(4-phenylmethoxyphenyl)prop-1-en-2-yl]amino]pyridin-2-amine
CID 170352416
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine?
The IUPAC name of 3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine (CID 20716495) is 3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine.
What is the SMILES notation for 3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine?
The canonical SMILES for 3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine is C/C(=N\c1cccnc1N)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine?
The InChIKey is CAGBLPXSZDVTQG-HZHRSRAPSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15(23-19-8-5-13-22-20(19)21)17-9-11-18(12-10-17)24-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H2,21,22)/b23-15+.
What are the key properties of 3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine?
3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine has a molecular weight of 317.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-phenylmethoxyphenyl)ethylideneamino]pyridin-2-amine is sourced from PubChem (CID 20716495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).