5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol

C16H18N2O — CID 71192525

IUPAC5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol
SMILESC/N=C1\C=CC=C\C1=N\CCc1ccc(C)cc1O
InChIInChI=1S/C16H18N2O/c1-12-7-8-13(16(19)11-12)9-10-18-15-6-4-3-5-14(15)17-2/h3-8,11,19H,9-10H2,1-2H3/b17-14+,18-15-
InChIKeyRGXLJFJFIQSRAB-YEUVTLMZSA-N
MW254.33 g/mol
LogP2.88
Rot. Bonds3

About 5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol

5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol (PubChem CID 71192525) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol
PubChem CID71192525
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol
SMILESC/N=C1\C=CC=C\C1=N\CCc1ccc(C)cc1O
InChIInChI=1S/C16H18N2O/c1-12-7-8-13(16(19)11-12)9-10-18-15-6-4-3-5-14(15)17-2/h3-8,11,19H,9-10H2,1-2H3/b17-14+,18-15-
InChIKeyRGXLJFJFIQSRAB-YEUVTLMZSA-N
XLogP2.88
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[[(Z)-(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]methylamino]phenol
CID 142278276
2-(2-aminoethyl)-5-methylphenol
CID 55254754
5-methyl-2-(12-nitrosododecyl)phenol
CID 54170946
ethane;2-ethyl-5-methylphenol
CID 142001660
(2-hydroxy-4-methylphenyl)methylboronic acid
CID 57416355
2-(hydroperoxymethyl)-5-methylphenol
CID 21351355
2-(2-azidoethyl)-4-methylphenol
CID 151587113
2-(ethylsulfanylmethyl)-5-methylphenol
CID 14452460
1-chloro-3-(2-hydroxy-4-methylphenyl)propan-2-one
CID 130895679
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione
CID 142614303
4-methyl-2-[(E)-3-methylpent-3-enyl]phenol
CID 102455257

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol?
The IUPAC name of 5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol (CID 71192525) is 5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol?
The canonical SMILES for 5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol is C/N=C1\C=CC=C\C1=N\CCc1ccc(C)cc1O.
What is the InChIKey of 5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol?
The InChIKey is RGXLJFJFIQSRAB-YEUVTLMZSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-7-8-13(16(19)11-12)9-10-18-15-6-4-3-5-14(15)17-2/h3-8,11,19H,9-10H2,1-2H3/b17-14+,18-15-.
What are the key properties of 5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol?
5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol has a molecular weight of 254.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[(6-methyliminocyclohexa-2,4-dien-1-ylidene)amino]ethyl]phenol is sourced from PubChem (CID 71192525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).