2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile

C16H17N3O2 — CID 81298754

IUPAC2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Nc2cccc(OCCN)c2)c1
InChIInChI=1S/C16H17N3O2/c1-20-14-6-5-12(11-18)16(10-14)19-13-3-2-4-15(9-13)21-8-7-17/h2-6,9-10,19H,7-8,17H2,1H3
InChIKeySSQLTYUMCIWABY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.65
Rot. Bonds6

About 2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile

2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile (PubChem CID 81298754) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile
PubChem CID81298754
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Nc2cccc(OCCN)c2)c1
InChIInChI=1S/C16H17N3O2/c1-20-14-6-5-12(11-18)16(10-14)19-13-3-2-4-15(9-13)21-8-7-17/h2-6,9-10,19H,7-8,17H2,1H3
InChIKeySSQLTYUMCIWABY-UHFFFAOYSA-N
XLogP2.65
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-aminoethoxy)anilino]-2-bromobenzonitrile
CID 107280658
2-(3-ethynylanilino)-4-methoxybenzonitrile
CID 81299122
2-(3-fluoro-4-methylanilino)-4-methoxybenzonitrile
CID 81299578
2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile
CID 107931679
2-(3,5-difluoroanilino)-4-methoxybenzonitrile
CID 81300164
2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
CID 82016657
2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile
CID 81299476
2-(3-amino-5-methoxyanilino)benzonitrile
CID 80721669
2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22685564
4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile
CID 81296556
2-[[4-(aminomethyl)phenyl]methylamino]-4-methoxybenzonitrile
CID 81304530
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile?
The IUPAC name of 2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile (CID 81298754) is 2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile.
What is the SMILES notation for 2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile?
The canonical SMILES for 2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile is COc1ccc(C#N)c(Nc2cccc(OCCN)c2)c1.
What is the InChIKey of 2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile?
The InChIKey is SSQLTYUMCIWABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-14-6-5-12(11-18)16(10-14)19-13-3-2-4-15(9-13)21-8-7-17/h2-6,9-10,19H,7-8,17H2,1H3.
What are the key properties of 2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile?
2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile is sourced from PubChem (CID 81298754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).