ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine

C19H26N2O2 — CID 143158589

IUPACethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine
SMILESCC.CN/N=C/c1ccccc1C.O=CCc1cccc(O)c1
InChIInChI=1S/C9H12N2.C8H8O2.C2H6/c1-8-5-3-4-6-9(8)7-11-10-2;9-5-4-7-2-1-3-8(10)6-7;1-2/h3-7,10H,1-2H3;1-3,5-6,10H,4H2;1-2H3/b11-7+;;
InChIKeyZWBDNYOFQAVJKL-FCVAESPPSA-N
MW314.43 g/mol
LogP3.71
Rot. Bonds4

About ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine

ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine (PubChem CID 143158589) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine.

Molecular Properties

Compound Nameethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine
PubChem CID143158589
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nameethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine
SMILESCC.CN/N=C/c1ccccc1C.O=CCc1cccc(O)c1
InChIInChI=1S/C9H12N2.C8H8O2.C2H6/c1-8-5-3-4-6-9(8)7-11-10-2;9-5-4-7-2-1-3-8(10)6-7;1-2/h3-7,10H,1-2H3;1-3,5-6,10H,4H2;1-2H3/b11-7+;;
InChIKeyZWBDNYOFQAVJKL-FCVAESPPSA-N
XLogP3.71
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135502640
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
1-(2,6-dimethylphenyl)-3-[(E)-(2-methylphenyl)methylideneamino]urea
CID 77108053
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
2-(3-hydroxyphenyl)ethanethial
CID 54574917
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 11573346
N-[(E)-naphthalen-1-ylmethylideneamino]methanamine
CID 110337745
N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110339527
2-methylbenzaldehyde;phenol
CID 88733801
N-benzyl-1-(2-methylphenyl)methanimine;ethane
CID 143782253
N-[(E)-(2-fluoro-4-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135513103
3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 78596974

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine?
The IUPAC name of ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine (CID 143158589) is ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine.
What is the SMILES notation for ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine?
The canonical SMILES for ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine is CC.CN/N=C/c1ccccc1C.O=CCc1cccc(O)c1.
What is the InChIKey of ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine?
The InChIKey is ZWBDNYOFQAVJKL-FCVAESPPSA-N. The full InChI is InChI=1S/C9H12N2.C8H8O2.C2H6/c1-8-5-3-4-6-9(8)7-11-10-2;9-5-4-7-2-1-3-8(10)6-7;1-2/h3-7,10H,1-2H3;1-3,5-6,10H,4H2;1-2H3/b11-7+;;.
What are the key properties of ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine?
ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine has a molecular weight of 314.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine is sourced from PubChem (CID 143158589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).