2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile

C14H20N2O — CID 54887188

IUPAC2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
SMILESCCOc1cccc(C(C#N)NCC(C)C)c1
InChIInChI=1S/C14H20N2O/c1-4-17-13-7-5-6-12(8-13)14(9-15)16-10-11(2)3/h5-8,11,14,16H,4,10H2,1-3H3
InChIKeyKFUKWRDSHSIQMY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.90
Rot. Bonds6

About 2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile

2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile (PubChem CID 54887188) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
PubChem CID54887188
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
SMILESCCOc1cccc(C(C#N)NCC(C)C)c1
InChIInChI=1S/C14H20N2O/c1-4-17-13-7-5-6-12(8-13)14(9-15)16-10-11(2)3/h5-8,11,14,16H,4,10H2,1-3H3
InChIKeyKFUKWRDSHSIQMY-UHFFFAOYSA-N
XLogP2.90
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyphenyl)-2-(propylamino)acetonitrile
CID 60873158
2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile
CID 84816546
2-(3-ethoxyphenyl)propanenitrile
CID 130134984
2-(4-bromoanilino)-2-(3-ethoxyphenyl)acetonitrile
CID 60988045
2-(cyclohexylamino)-2-(3-ethoxyphenyl)acetonitrile
CID 54894477
2-(3-methoxyphenyl)-2-(3-methylbutylamino)acetonitrile
CID 112500762
2-(3-ethoxyphenyl)-4-oxopentanenitrile
CID 175669256
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile
CID 55079116
2-(cyclopropylmethylamino)-2-(3-methoxyphenyl)acetonitrile
CID 60997226
2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210762

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile?
The IUPAC name of 2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile (CID 54887188) is 2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile.
What is the SMILES notation for 2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile?
The canonical SMILES for 2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile is CCOc1cccc(C(C#N)NCC(C)C)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile?
The InChIKey is KFUKWRDSHSIQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-17-13-7-5-6-12(8-13)14(9-15)16-10-11(2)3/h5-8,11,14,16H,4,10H2,1-3H3.
What are the key properties of 2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile?
2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile is sourced from PubChem (CID 54887188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).