4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile

C17H18N2O — CID 102847283

IUPAC4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile
SMILESCOCCc1ccccc1NCc1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O/c1-20-11-10-16-4-2-3-5-17(16)19-13-15-8-6-14(12-18)7-9-15/h2-9,19H,10-11,13H2,1H3
InChIKeyLUYSTASHBYVZQA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.36
Rot. Bonds6

About 4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile

4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile (PubChem CID 102847283) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile
PubChem CID102847283
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile
SMILESCOCCc1ccccc1NCc1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O/c1-20-11-10-16-4-2-3-5-17(16)19-13-15-8-6-14(12-18)7-9-15/h2-9,19H,10-11,13H2,1H3
InChIKeyLUYSTASHBYVZQA-UHFFFAOYSA-N
XLogP3.36
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile
CID 102847714
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 107686073
4-[2-[(4-methoxyphenyl)methylamino]phenyl]benzonitrile
CID 122184594
4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile
CID 79041711
4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid
CID 103268805
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 102847704
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile?
The IUPAC name of 4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile (CID 102847283) is 4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile is COCCc1ccccc1NCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile?
The InChIKey is LUYSTASHBYVZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-20-11-10-16-4-2-3-5-17(16)19-13-15-8-6-14(12-18)7-9-15/h2-9,19H,10-11,13H2,1H3.
What are the key properties of 4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile?
4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile is sourced from PubChem (CID 102847283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).