2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol

C17H20N2O — CID 135829078

IUPAC2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol
SMILESCN(C)Cc1ccccc1C/N=C/c1ccccc1O
InChIInChI=1S/C17H20N2O/c1-19(2)13-16-9-4-3-7-14(16)11-18-12-15-8-5-6-10-17(15)20/h3-10,12,20H,11,13H2,1-2H3/b18-12+
InChIKeyPRFLWAJGCWEANB-LDADJPATSA-N
MW268.36 g/mol
LogP3.07
Rot. Bonds5

About 2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol

2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol (PubChem CID 135829078) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol
PubChem CID135829078
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol
SMILESCN(C)Cc1ccccc1C/N=C/c1ccccc1O
InChIInChI=1S/C17H20N2O/c1-19(2)13-16-9-4-3-7-14(16)11-18-12-15-8-5-6-10-17(15)20/h3-10,12,20H,11,13H2,1-2H3/b18-12+
InChIKeyPRFLWAJGCWEANB-LDADJPATSA-N
XLogP3.07
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.07
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

2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol
CID 135936259
2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol
CID 136504665
2-[(4-methylphenyl)methyliminomethyl]phenol
CID 135657309
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
1-(2-methanehydrazonoylphenyl)-N,N-dimethylmethanamine
CID 168530555
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
[2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium
CID 135829092
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol (CID 135829078) is 2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol is CN(C)Cc1ccccc1C/N=C/c1ccccc1O.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol?
The InChIKey is PRFLWAJGCWEANB-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(2)13-16-9-4-3-7-14(16)11-18-12-15-8-5-6-10-17(15)20/h3-10,12,20H,11,13H2,1-2H3/b18-12+.
What are the key properties of 2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol?
2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol is sourced from PubChem (CID 135829078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).