2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile

C14H20N2O2 — CID 54887599

IUPAC2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
SMILESCOc1cccc(C(C#N)NCC(C)C)c1OC
InChIInChI=1S/C14H20N2O2/c1-10(2)9-16-12(8-15)11-6-5-7-13(17-3)14(11)18-4/h5-7,10,12,16H,9H2,1-4H3
InChIKeyZNBYNOXSBVIEBH-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.51
Rot. Bonds6

About 2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile

2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile (PubChem CID 54887599) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
PubChem CID54887599
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
SMILESCOc1cccc(C(C#N)NCC(C)C)c1OC
InChIInChI=1S/C14H20N2O2/c1-10(2)9-16-12(8-15)11-6-5-7-13(17-3)14(11)18-4/h5-7,10,12,16H,9H2,1-4H3
InChIKeyZNBYNOXSBVIEBH-UHFFFAOYSA-N
XLogP2.51
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148533
2-(3-azidopropylamino)-2-(2,3-dimethoxyphenyl)acetonitrile
CID 66188693
2-(2-methylpropylamino)-2-[2-(trifluoromethoxy)phenyl]acetonitrile
CID 54887277
2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile
CID 63967901
2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889204
2-cyclopropyl-2-(2,3-dimethoxyphenyl)acetonitrile
CID 83689906
2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 54887188
2-(2-chloro-3,4-dimethoxyphenyl)-2-(prop-2-ynylamino)acetonitrile
CID 63632909
2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889441
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2-methylpropylamino)acetonitrile
CID 64509300
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile (CID 54887599) is 2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile is COc1cccc(C(C#N)NCC(C)C)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile?
The InChIKey is ZNBYNOXSBVIEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)9-16-12(8-15)11-6-5-7-13(17-3)14(11)18-4/h5-7,10,12,16H,9H2,1-4H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile?
2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile has a molecular weight of 248.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile is sourced from PubChem (CID 54887599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).