3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol

C14H14N2O — CID 139291560

IUPAC3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol
SMILESCc1cc(O)cc(C)c1/N=C/c1ccccn1
InChIInChI=1S/C14H14N2O/c1-10-7-13(17)8-11(2)14(10)16-9-12-5-3-4-6-15-12/h3-9,17H,1-2H3/b16-9+
InChIKeyTZMFWWJIHTTYTF-CXUHLZMHSA-N
MW226.28 g/mol
LogP3.15
Rot. Bonds2

About 3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol

3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol (PubChem CID 139291560) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol.

Molecular Properties

Compound Name3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol
PubChem CID139291560
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol
SMILESCc1cc(O)cc(C)c1/N=C/c1ccccn1
InChIInChI=1S/C14H14N2O/c1-10-7-13(17)8-11(2)14(10)16-9-12-5-3-4-6-15-12/h3-9,17H,1-2H3/b16-9+
InChIKeyTZMFWWJIHTTYTF-CXUHLZMHSA-N
XLogP3.15
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-4-methylphenol
CID 69491874
3,5-bis[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-4-methylphenol;bis(palladium);tetrahydrochloride
CID 173107750
3,5-bis[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-4-methylphenol;nickel;tetrahydrobromide
CID 173107048
3,5-bis[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-4-methylphenol;nickel;tetrahydrochloride
CID 173107193
N-[4-[3-[3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methyl-5-nitrophenyl]-2,6-dimethylphenyl]-1-pyridin-2-ylmethanimine;nickel;tetrabromide
CID 173107184
bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine
CID 158112797
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine
CID 11445939
N-[4-[[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 68745734
carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
CID 147504192
3,5-dimethyl-4-(pyrrol-1-id-2-ylmethylideneamino)phenol;iridium;bis(2-phenylpyridine)
CID 140549181
N,N-dimethyl-4-(pyridin-2-ylmethylideneamino)aniline
CID 20740795

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol?
The IUPAC name of 3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol (CID 139291560) is 3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol.
What is the SMILES notation for 3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol?
The canonical SMILES for 3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol is Cc1cc(O)cc(C)c1/N=C/c1ccccn1.
What is the InChIKey of 3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol?
The InChIKey is TZMFWWJIHTTYTF-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-7-13(17)8-11(2)14(10)16-9-12-5-3-4-6-15-12/h3-9,17H,1-2H3/b16-9+.
What are the key properties of 3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol?
3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol has a molecular weight of 226.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol is sourced from PubChem (CID 139291560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).