2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile

C17H18N2O — CID 107927606

IUPAC2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile
SMILESCOc1ccc(C(C)Nc2ccc(C)cc2C#N)cc1
InChIInChI=1S/C17H18N2O/c1-12-4-9-17(15(10-12)11-18)19-13(2)14-5-7-16(20-3)8-6-14/h4-10,13,19H,1-3H3
InChIKeyZZYXFACRHXNBDZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.05
Rot. Bonds4

About 2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile

2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile (PubChem CID 107927606) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile
PubChem CID107927606
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile
SMILESCOc1ccc(C(C)Nc2ccc(C)cc2C#N)cc1
InChIInChI=1S/C17H18N2O/c1-12-4-9-17(15(10-12)11-18)19-13(2)14-5-7-16(20-3)8-6-14/h4-10,13,19H,1-3H3
InChIKeyZZYXFACRHXNBDZ-UHFFFAOYSA-N
XLogP4.05
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-bromophenyl)ethylamino]-5-methylbenzonitrile
CID 107927205
1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 66197182
5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile
CID 55209456
2-[1-(4-cyanophenyl)ethylamino]-4-methoxybenzonitrile
CID 81300170
2-[(4-methoxyphenyl)methylamino]-5-methylbenzonitrile
CID 107926880
5-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]benzonitrile
CID 107931272
2-[1-(4-aminophenyl)ethylamino]-4-methylbenzonitrile
CID 62307844
4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
CID 43192054
2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile
CID 107927648
5-bromo-2-[1-(3,4-dimethoxyphenyl)ethylamino]benzonitrile
CID 133407162
5-fluoro-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]benzonitrile
CID 133316871
2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-5-nitrobenzonitrile
CID 25345829

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile?
The IUPAC name of 2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile (CID 107927606) is 2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile?
The canonical SMILES for 2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile is COc1ccc(C(C)Nc2ccc(C)cc2C#N)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile?
The InChIKey is ZZYXFACRHXNBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-4-9-17(15(10-12)11-18)19-13(2)14-5-7-16(20-3)8-6-14/h4-10,13,19H,1-3H3.
What are the key properties of 2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile?
2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile has a molecular weight of 266.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile is sourced from PubChem (CID 107927606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).