2-[3-(dimethylamino)-4-methylphenyl]acetonitrile

C11H14N2 — CID 115110978

IUPAC2-[3-(dimethylamino)-4-methylphenyl]acetonitrile
SMILESCc1ccc(CC#N)cc1N(C)C
InChIInChI=1S/C11H14N2/c1-9-4-5-10(6-7-12)8-11(9)13(2)3/h4-5,8H,6H2,1-3H3
InChIKeyDQQZPXYOIKEINE-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.13
Rot. Bonds2

About 2-[3-(dimethylamino)-4-methylphenyl]acetonitrile

2-[3-(dimethylamino)-4-methylphenyl]acetonitrile (PubChem CID 115110978) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylphenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylphenyl]acetonitrile
PubChem CID115110978
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-[3-(dimethylamino)-4-methylphenyl]acetonitrile
SMILESCc1ccc(CC#N)cc1N(C)C
InChIInChI=1S/C11H14N2/c1-9-4-5-10(6-7-12)8-11(9)13(2)3/h4-5,8H,6H2,1-3H3
InChIKeyDQQZPXYOIKEINE-UHFFFAOYSA-N
XLogP2.13
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(isocyanatomethyl)-N,N,2-trimethylaniline
CID 117114769
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
2-(2-methyl-1,3-benzodioxol-5-yl)acetonitrile
CID 130349818
2-[4-[4-(dimethylamino)anilino]phenyl]acetonitrile
CID 82536552
2-[3-(methoxymethoxy)-4-methylphenyl]acetonitrile;[3-(methoxymethoxy)-4-methylphenyl]methanol
CID 158260809
5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline
CID 115111096
5-ethoxy-N,N,2-trimethylaniline
CID 54263665
ethyl 4-(cyanomethyl)-2-methylbenzoate
CID 139721325
2-[[3-(dimethylamino)-4-methylphenyl]hydrazinylidene]propanedinitrile
CID 169340067
ethane;2-(4-ethylphenyl)acetonitrile
CID 143828452
2-[3-(3-bromophenoxy)-4-methylphenyl]acetonitrile
CID 142944736

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylphenyl]acetonitrile?
The IUPAC name of 2-[3-(dimethylamino)-4-methylphenyl]acetonitrile (CID 115110978) is 2-[3-(dimethylamino)-4-methylphenyl]acetonitrile.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylphenyl]acetonitrile?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylphenyl]acetonitrile is Cc1ccc(CC#N)cc1N(C)C.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylphenyl]acetonitrile?
The InChIKey is DQQZPXYOIKEINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-4-5-10(6-7-12)8-11(9)13(2)3/h4-5,8H,6H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)-4-methylphenyl]acetonitrile?
2-[3-(dimethylamino)-4-methylphenyl]acetonitrile has a molecular weight of 174.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylphenyl]acetonitrile is sourced from PubChem (CID 115110978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).