3-(ethylamino)-4-methylbenzonitrile

C10H12N2 — CID 62105760

IUPAC3-(ethylamino)-4-methylbenzonitrile
SMILESCCNc1cc(C#N)ccc1C
InChIInChI=1S/C10H12N2/c1-3-12-10-6-9(7-11)5-4-8(10)2/h4-6,12H,3H2,1-2H3
InChIKeyFZMDHCNIDOCMFM-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.30
Rot. Bonds2

About 3-(ethylamino)-4-methylbenzonitrile

3-(ethylamino)-4-methylbenzonitrile (PubChem CID 62105760) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-(ethylamino)-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(ethylamino)-4-methylbenzonitrile
PubChem CID62105760
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-(ethylamino)-4-methylbenzonitrile
SMILESCCNc1cc(C#N)ccc1C
InChIInChI=1S/C10H12N2/c1-3-12-10-6-9(7-11)5-4-8(10)2/h4-6,12H,3H2,1-2H3
InChIKeyFZMDHCNIDOCMFM-UHFFFAOYSA-N
XLogP2.30
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-cyano-2-methylanilino)-N-ethylacetamide
CID 62059546
4-methyl-3-(2-methylidenebutylamino)benzonitrile
CID 66044026
4-methyl-3-(2-phenylethylamino)benzonitrile
CID 62103349
4-methyl-3-(2-propylsulfonylethylamino)benzonitrile
CID 106723578
3-[(3-hydroxy-2-methylpropyl)amino]-4-methylbenzonitrile
CID 115872017
4-methyl-3-(2-methylhydrazinyl)benzonitrile
CID 143275745
3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile
CID 62352424
3-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile
CID 62104657
4-methyl-3-(3-methylsulfonylpropylamino)benzonitrile
CID 55158892
2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 47475196
3-(furan-2-ylmethylamino)-4-methylbenzonitrile
CID 62103900
4-methyl-3-(4-phenylbutylamino)benzonitrile
CID 114333314

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-methylbenzonitrile?
The IUPAC name of 3-(ethylamino)-4-methylbenzonitrile (CID 62105760) is 3-(ethylamino)-4-methylbenzonitrile.
What is the SMILES notation for 3-(ethylamino)-4-methylbenzonitrile?
The canonical SMILES for 3-(ethylamino)-4-methylbenzonitrile is CCNc1cc(C#N)ccc1C.
What is the InChIKey of 3-(ethylamino)-4-methylbenzonitrile?
The InChIKey is FZMDHCNIDOCMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-12-10-6-9(7-11)5-4-8(10)2/h4-6,12H,3H2,1-2H3.
What are the key properties of 3-(ethylamino)-4-methylbenzonitrile?
3-(ethylamino)-4-methylbenzonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-methylbenzonitrile is sourced from PubChem (CID 62105760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).