3-(ethylamino)-2-methylbenzonitrile

C10H12N2 — CID 130920510

IUPAC3-(ethylamino)-2-methylbenzonitrile
SMILESCCNc1cccc(C#N)c1C
InChIInChI=1S/C10H12N2/c1-3-12-10-6-4-5-9(7-11)8(10)2/h4-6,12H,3H2,1-2H3
InChIKeyBMVPZEOFSAYADC-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.30
Rot. Bonds2

About 3-(ethylamino)-2-methylbenzonitrile

3-(ethylamino)-2-methylbenzonitrile (PubChem CID 130920510) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-(ethylamino)-2-methylbenzonitrile.

Molecular Properties

Compound Name3-(ethylamino)-2-methylbenzonitrile
PubChem CID130920510
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-(ethylamino)-2-methylbenzonitrile
SMILESCCNc1cccc(C#N)c1C
InChIInChI=1S/C10H12N2/c1-3-12-10-6-4-5-9(7-11)8(10)2/h4-6,12H,3H2,1-2H3
InChIKeyBMVPZEOFSAYADC-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-methyl-3-(2,2,2-trifluoroethylamino)benzonitrile
CID 151389625
3-(3-hydroxypropylamino)-2-methylbenzonitrile
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3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile
CID 19873169
N-ethyl-2-methyl-3-nitroaniline
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3-(aminomethyl)-2-methylbenzonitrile
CID 67666670
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
2-amino-3-(2-methylbutan-2-ylamino)benzonitrile
CID 104716196
3-cyano-2-(ethylamino)benzoic acid
CID 66674956
2-[(2,6-dimethylanilino)methyl]benzonitrile
CID 60688762
2-(ethylamino)-4-methoxybenzonitrile
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2-(dodecylamino)benzonitrile
CID 63488308

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methylbenzonitrile?
The IUPAC name of 3-(ethylamino)-2-methylbenzonitrile (CID 130920510) is 3-(ethylamino)-2-methylbenzonitrile.
What is the SMILES notation for 3-(ethylamino)-2-methylbenzonitrile?
The canonical SMILES for 3-(ethylamino)-2-methylbenzonitrile is CCNc1cccc(C#N)c1C.
What is the InChIKey of 3-(ethylamino)-2-methylbenzonitrile?
The InChIKey is BMVPZEOFSAYADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-12-10-6-4-5-9(7-11)8(10)2/h4-6,12H,3H2,1-2H3.
What are the key properties of 3-(ethylamino)-2-methylbenzonitrile?
3-(ethylamino)-2-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)-2-methylbenzonitrile is sourced from PubChem (CID 130920510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).