2-(ethylamino)-4-methoxybenzonitrile

C10H12N2O — CID 14388672

IUPAC2-(ethylamino)-4-methoxybenzonitrile
SMILESCCNc1cc(OC)ccc1C#N
InChIInChI=1S/C10H12N2O/c1-3-12-10-6-9(13-2)5-4-8(10)7-11/h4-6,12H,3H2,1-2H3
InChIKeyXAHLZFUNFLRYJX-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.00
Rot. Bonds3

About 2-(ethylamino)-4-methoxybenzonitrile

2-(ethylamino)-4-methoxybenzonitrile (PubChem CID 14388672) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(ethylamino)-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-methoxybenzonitrile
PubChem CID14388672
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(ethylamino)-4-methoxybenzonitrile
SMILESCCNc1cc(OC)ccc1C#N
InChIInChI=1S/C10H12N2O/c1-3-12-10-6-9(13-2)5-4-8(10)7-11/h4-6,12H,3H2,1-2H3
InChIKeyXAHLZFUNFLRYJX-UHFFFAOYSA-N
XLogP2.00
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-(2-methoxyethylamino)benzonitrile
CID 81298922
2-[(2-hydroxy-2-methylpropyl)amino]-4-methoxybenzonitrile
CID 81303362
4-methoxy-2-(prop-2-enylamino)benzonitrile
CID 81299028
4-methoxy-2-(5-methoxypentylamino)benzonitrile
CID 114130567
2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile
CID 81300198
2-[(2-ethyl-4-hydroxybutyl)amino]-4-methoxybenzonitrile
CID 81306719
ethyl 2-(2-cyano-5-methoxyanilino)acetate
CID 81299411
4-methoxy-2-[[2-methyl-3-(methylamino)propyl]amino]benzonitrile
CID 113282602
2-[[4-(aminomethyl)phenyl]methylamino]-4-methoxybenzonitrile
CID 81304530
2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile
CID 114332634
4-methoxy-2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 81299793
2-[(3-amino-2,2-difluoropropyl)amino]-4-methoxybenzonitrile
CID 114384341

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methoxybenzonitrile?
The IUPAC name of 2-(ethylamino)-4-methoxybenzonitrile (CID 14388672) is 2-(ethylamino)-4-methoxybenzonitrile.
What is the SMILES notation for 2-(ethylamino)-4-methoxybenzonitrile?
The canonical SMILES for 2-(ethylamino)-4-methoxybenzonitrile is CCNc1cc(OC)ccc1C#N.
What is the InChIKey of 2-(ethylamino)-4-methoxybenzonitrile?
The InChIKey is XAHLZFUNFLRYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-12-10-6-9(13-2)5-4-8(10)7-11/h4-6,12H,3H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-methoxybenzonitrile?
2-(ethylamino)-4-methoxybenzonitrile has a molecular weight of 176.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methoxybenzonitrile is sourced from PubChem (CID 14388672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).