2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile

C13H18N2 — CID 141149641

IUPAC2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile
SMILESCN(C)Cc1cccc(C(C)(C)C#N)c1
InChIInChI=1S/C13H18N2/c1-13(2,10-14)12-7-5-6-11(8-12)9-15(3)4/h5-8H,9H2,1-4H3
InChIKeyLVNKXENUFQTLKD-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.55
Rot. Bonds3

About 2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile

2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile (PubChem CID 141149641) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile
PubChem CID141149641
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile
SMILESCN(C)Cc1cccc(C(C)(C)C#N)c1
InChIInChI=1S/C13H18N2/c1-13(2,10-14)12-7-5-6-11(8-12)9-15(3)4/h5-8H,9H2,1-4H3
InChIKeyLVNKXENUFQTLKD-UHFFFAOYSA-N
XLogP2.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile (CID 141149641) is 2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile is CN(C)Cc1cccc(C(C)(C)C#N)c1.
What is the InChIKey of 2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile?
The InChIKey is LVNKXENUFQTLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-13(2,10-14)12-7-5-6-11(8-12)9-15(3)4/h5-8H,9H2,1-4H3.
What are the key properties of 2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile?
2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile has a molecular weight of 202.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 141149641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).