4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile

C15H22N2O — CID 112508618

IUPAC4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile
SMILESCCc1cc(C(C#N)CCN(C)C)ccc1OC
InChIInChI=1S/C15H22N2O/c1-5-12-10-13(6-7-15(12)18-4)14(11-16)8-9-17(2)3/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeySGTLAYPMVXOEDQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.82
Rot. Bonds6

About 4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile

4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile (PubChem CID 112508618) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile
PubChem CID112508618
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile
SMILESCCc1cc(C(C#N)CCN(C)C)ccc1OC
InChIInChI=1S/C15H22N2O/c1-5-12-10-13(6-7-15(12)18-4)14(11-16)8-9-17(2)3/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeySGTLAYPMVXOEDQ-UHFFFAOYSA-N
XLogP2.82
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-4-methoxyphenyl)-4-phenylbutanenitrile
CID 82137906
2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile
CID 82140756
2-(3-ethyl-4-methoxyphenyl)-3-oxopropanenitrile
CID 82112546
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
2-cyano-2-(3-ethyl-4-methoxyphenyl)acetic acid
CID 82114135
2-(3,4-dichlorophenyl)-4-(dimethylamino)butanenitrile
CID 82089128
2-(3,4-dichlorophenyl)-3-(3-ethyl-4-methoxyphenyl)propanenitrile
CID 82141675
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
3-(3-ethyl-4-methoxy-N-methylanilino)propanenitrile
CID 115230759
3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116907304
1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol
CID 82281977

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile?
The IUPAC name of 4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile (CID 112508618) is 4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile.
What is the SMILES notation for 4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile?
The canonical SMILES for 4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile is CCc1cc(C(C#N)CCN(C)C)ccc1OC.
What is the InChIKey of 4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile?
The InChIKey is SGTLAYPMVXOEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-12-10-13(6-7-15(12)18-4)14(11-16)8-9-17(2)3/h6-7,10,14H,5,8-9H2,1-4H3.
What are the key properties of 4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile?
4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile has a molecular weight of 246.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile is sourced from PubChem (CID 112508618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).