5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol

C18H20N6O — CID 135774370

IUPAC5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(-n3cnnn3)cc2)c(O)c1
InChIInChI=1S/C18H20N6O/c1-3-23(4-2)17-8-5-14(18(25)11-17)12-19-15-6-9-16(10-7-15)24-13-20-21-22-24/h5-13,25H,3-4H2,1-2H3/b19-12+
InChIKeyOKHGPQYWPMEZKK-XDHOZWIPSA-N
MW336.40 g/mol
LogP2.96
Rot. Bonds6

About 5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol

5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol (PubChem CID 135774370) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol
PubChem CID135774370
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(-n3cnnn3)cc2)c(O)c1
InChIInChI=1S/C18H20N6O/c1-3-23(4-2)17-8-5-14(18(25)11-17)12-19-15-6-9-16(10-7-15)24-13-20-21-22-24/h5-13,25H,3-4H2,1-2H3/b19-12+
InChIKeyOKHGPQYWPMEZKK-XDHOZWIPSA-N
XLogP2.96
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 693567
2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol
CID 142086910
5-(diethylamino)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenol
CID 135774341
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
2-(1,3-benzodioxol-5-yliminomethyl)-5-(diethylamino)phenol
CID 2352957
5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
CID 830890
5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol
CID 136733745
2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 3318955
2-[[4-[(E)-2-anthracen-9-ylethenyl]phenyl]iminomethyl]-5-(diethylamino)phenol
CID 137082909
2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135710875
5-(diethylamino)-2-[(E)-1,2,4-triazol-1-yliminomethyl]phenol
CID 137309899
5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 135774521

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol (CID 135774370) is 5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol is CCN(CC)c1ccc(/C=N/c2ccc(-n3cnnn3)cc2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol?
The InChIKey is OKHGPQYWPMEZKK-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N6O/c1-3-23(4-2)17-8-5-14(18(25)11-17)12-19-15-6-9-16(10-7-15)24-13-20-21-22-24/h5-13,25H,3-4H2,1-2H3/b19-12+.
What are the key properties of 5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol?
5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol has a molecular weight of 336.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135774370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).