2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile

C17H17N3O — CID 2741841

IUPAC2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile
SMILESCOc1ccc(/N=C/c2ccc(N(C)C)c(C#N)c2)cc1
InChIInChI=1S/C17H17N3O/c1-20(2)17-9-4-13(10-14(17)11-18)12-19-15-5-7-16(21-3)8-6-15/h4-10,12H,1-3H3/b19-12+
InChIKeyAYWOKZNKVURANW-XDHOZWIPSA-N
MW279.34 g/mol
LogP3.38
Rot. Bonds4

About 2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile

2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile (PubChem CID 2741841) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile
PubChem CID2741841
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile
SMILESCOc1ccc(/N=C/c2ccc(N(C)C)c(C#N)c2)cc1
InChIInChI=1S/C17H17N3O/c1-20(2)17-9-4-13(10-14(17)11-18)12-19-15-5-7-16(21-3)8-6-15/h4-10,12H,1-3H3/b19-12+
InChIKeyAYWOKZNKVURANW-XDHOZWIPSA-N
XLogP3.38
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile
CID 86728880
(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
CID 102305273
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168619300
(NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine
CID 134612915
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548
1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102302326
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126205496
4-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]benzonitrile
CID 71626902

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile?
The IUPAC name of 2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile (CID 2741841) is 2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile.
What is the SMILES notation for 2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile?
The canonical SMILES for 2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile is COc1ccc(/N=C/c2ccc(N(C)C)c(C#N)c2)cc1.
What is the InChIKey of 2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile?
The InChIKey is AYWOKZNKVURANW-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20(2)17-9-4-13(10-14(17)11-18)12-19-15-5-7-16(21-3)8-6-15/h4-10,12H,1-3H3/b19-12+.
What are the key properties of 2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile?
2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile has a molecular weight of 279.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(4-methoxyphenyl)iminomethyl]benzonitrile is sourced from PubChem (CID 2741841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).