2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile

C16H17N3O — CID 107931679

IUPAC2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile
SMILESCc1ccc(Nc2ccc(OCCN)cc2)c(C#N)c1
InChIInChI=1S/C16H17N3O/c1-12-2-7-16(13(10-12)11-18)19-14-3-5-15(6-4-14)20-9-8-17/h2-7,10,19H,8-9,17H2,1H3
InChIKeyDWYNEBYIOZIAFH-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.95
Rot. Bonds5

About 2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile

2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile (PubChem CID 107931679) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile
PubChem CID107931679
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile
SMILESCc1ccc(Nc2ccc(OCCN)cc2)c(C#N)c1
InChIInChI=1S/C16H17N3O/c1-12-2-7-16(13(10-12)11-18)19-14-3-5-15(6-4-14)20-9-8-17/h2-7,10,19H,8-9,17H2,1H3
InChIKeyDWYNEBYIOZIAFH-UHFFFAOYSA-N
XLogP2.95
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile
CID 107926997
2-(4-ethylanilino)-5-methylbenzonitrile
CID 114016768
2-(3,5-dimethylanilino)-5-methylbenzonitrile
CID 107926938
2-(3,4-dimethylanilino)-5-methylbenzonitrile
CID 107926959
2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile
CID 107927648
2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile
CID 81298754
5-bromo-2-(4-methylanilino)benzonitrile
CID 114890405
5-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]benzonitrile
CID 107931272
2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
CID 114016776
2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile
CID 107927736
2-(3-iodoanilino)-5-methylbenzonitrile
CID 114016786
4-[3-(2-aminoethoxy)anilino]-2-bromobenzonitrile
CID 107280658

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile?
The IUPAC name of 2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile (CID 107931679) is 2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile.
What is the SMILES notation for 2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile?
The canonical SMILES for 2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile is Cc1ccc(Nc2ccc(OCCN)cc2)c(C#N)c1.
What is the InChIKey of 2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile?
The InChIKey is DWYNEBYIOZIAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-2-7-16(13(10-12)11-18)19-14-3-5-15(6-4-14)20-9-8-17/h2-7,10,19H,8-9,17H2,1H3.
What are the key properties of 2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile?
2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile is sourced from PubChem (CID 107931679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).