2-[3-(dimethylamino)phenyl]acetonitrile

C10H12N2 — CID 53403559

IUPAC2-[3-(dimethylamino)phenyl]acetonitrile
SMILESCN(C)c1cccc(CC#N)c1
InChIInChI=1S/C10H12N2/c1-12(2)10-5-3-4-9(8-10)6-7-11/h3-5,8H,6H2,1-2H3
InChIKeyAUKPKUCUMZOTHB-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.82
Rot. Bonds2

About 2-[3-(dimethylamino)phenyl]acetonitrile

2-[3-(dimethylamino)phenyl]acetonitrile (PubChem CID 53403559) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenyl]acetonitrile
PubChem CID53403559
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-[3-(dimethylamino)phenyl]acetonitrile
SMILESCN(C)c1cccc(CC#N)c1
InChIInChI=1S/C10H12N2/c1-12(2)10-5-3-4-9(8-10)6-7-11/h3-5,8H,6H2,1-2H3
InChIKeyAUKPKUCUMZOTHB-UHFFFAOYSA-N
XLogP1.82
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenyl]acetonitrile?
The IUPAC name of 2-[3-(dimethylamino)phenyl]acetonitrile (CID 53403559) is 2-[3-(dimethylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-(dimethylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[3-(dimethylamino)phenyl]acetonitrile is CN(C)c1cccc(CC#N)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenyl]acetonitrile?
The InChIKey is AUKPKUCUMZOTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-12(2)10-5-3-4-9(8-10)6-7-11/h3-5,8H,6H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)phenyl]acetonitrile?
2-[3-(dimethylamino)phenyl]acetonitrile has a molecular weight of 160.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenyl]acetonitrile is sourced from PubChem (CID 53403559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).