2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile

C15H22N2 — CID 116960620

IUPAC2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile
SMILESCCC(C#N)C(NC)c1ccc(C)c(C)c1C
InChIInChI=1S/C15H22N2/c1-6-13(9-16)15(17-5)14-8-7-10(2)11(3)12(14)4/h7-8,13,15,17H,6H2,1-5H3
InChIKeyXILDVSFJXGEPNT-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.42
Rot. Bonds4

About 2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile

2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile (PubChem CID 116960620) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile.

Molecular Properties

Compound Name2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile
PubChem CID116960620
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile
SMILESCCC(C#N)C(NC)c1ccc(C)c(C)c1C
InChIInChI=1S/C15H22N2/c1-6-13(9-16)15(17-5)14-8-7-10(2)11(3)12(14)4/h7-8,13,15,17H,6H2,1-5H3
InChIKeyXILDVSFJXGEPNT-UHFFFAOYSA-N
XLogP3.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960845
2-[(2-methoxy-4,5-dimethylphenyl)-(methylamino)methyl]butanenitrile
CID 116960538
2-[(4-fluoro-3-methylphenyl)-(methylamino)methyl]butanenitrile
CID 116960512
2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol
CID 116957579
2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butanenitrile
CID 116960617
N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960302
2-[(5-chloro-2-methoxy-3-methylphenyl)-(methylamino)methyl]butanenitrile
CID 116960565
2-[1-benzothiophen-3-yl(methylamino)methyl]butanenitrile
CID 116960619
2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid
CID 116961134
2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile
CID 116955783
2-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]butanenitrile
CID 116960583
2-[(3,4-dimethoxyphenyl)-(methylamino)methyl]butanenitrile
CID 116960515

Frequently Asked Questions

What is the IUPAC name of 2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile?
The IUPAC name of 2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile (CID 116960620) is 2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile.
What is the SMILES notation for 2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile?
The canonical SMILES for 2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile is CCC(C#N)C(NC)c1ccc(C)c(C)c1C.
What is the InChIKey of 2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile?
The InChIKey is XILDVSFJXGEPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-6-13(9-16)15(17-5)14-8-7-10(2)11(3)12(14)4/h7-8,13,15,17H,6H2,1-5H3.
What are the key properties of 2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile?
2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile has a molecular weight of 230.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile is sourced from PubChem (CID 116960620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).