2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile

C16H24N2 — CID 115254101

IUPAC2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile
SMILESCCc1ccc(CCN(C)CC(C#N)CC)cc1
InChIInChI=1S/C16H24N2/c1-4-14-6-8-16(9-7-14)10-11-18(3)13-15(5-2)12-17/h6-9,15H,4-5,10-11,13H2,1-3H3
InChIKeyPDRNALDDZCCQBF-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.27
Rot. Bonds7

About 2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile

2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile (PubChem CID 115254101) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile.

Molecular Properties

Compound Name2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile
PubChem CID115254101
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile
SMILESCCc1ccc(CCN(C)CC(C#N)CC)cc1
InChIInChI=1S/C16H24N2/c1-4-14-6-8-16(9-7-14)10-11-18(3)13-15(5-2)12-17/h6-9,15H,4-5,10-11,13H2,1-3H3
InChIKeyPDRNALDDZCCQBF-UHFFFAOYSA-N
XLogP3.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]butanenitrile
CID 115254139
2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile
CID 115254151
2-[[(4-fluorophenyl)methyl-methylamino]methyl]butanenitrile
CID 115253889
2-[[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]methyl]butanenitrile
CID 115254132
2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 115255184
2-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254681
4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol
CID 117039279
2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile
CID 115253744
2-[[2-(4-methoxyphenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254684
2-[(4-ethylphenyl)sulfanylmethyl]butanenitrile
CID 139616161
2-[[N-methyl-4-(2-methylpropyl)anilino]methyl]butanenitrile
CID 115253625
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]butanenitrile
CID 115253887

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile?
The IUPAC name of 2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile (CID 115254101) is 2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile.
What is the SMILES notation for 2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile?
The canonical SMILES for 2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile is CCc1ccc(CCN(C)CC(C#N)CC)cc1.
What is the InChIKey of 2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile?
The InChIKey is PDRNALDDZCCQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-14-6-8-16(9-7-14)10-11-18(3)13-15(5-2)12-17/h6-9,15H,4-5,10-11,13H2,1-3H3.
What are the key properties of 2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile?
2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile has a molecular weight of 244.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile is sourced from PubChem (CID 115254101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).