2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile

C16H23N3O — CID 103537792

IUPAC2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile
SMILESCCNC(C#N)(CN1CCC(OC)C1)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-18-16(12-17,14-7-5-4-6-8-14)13-19-10-9-15(11-19)20-2/h4-8,15,18H,3,9-11,13H2,1-2H3
InChIKeyIKYRQHNNTWKTES-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.74
Rot. Bonds6

About 2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile

2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile (PubChem CID 103537792) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile
PubChem CID103537792
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile
SMILESCCNC(C#N)(CN1CCC(OC)C1)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-18-16(12-17,14-7-5-4-6-8-14)13-19-10-9-15(11-19)20-2/h4-8,15,18H,3,9-11,13H2,1-2H3
InChIKeyIKYRQHNNTWKTES-UHFFFAOYSA-N
XLogP1.74
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanal
CID 103538767
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile
CID 55041215
3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile
CID 103537853
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
CID 103539211
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894
2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 116692329
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile
CID 63955663
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 103537784
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
CID 116692941
3-(3-methoxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-ol
CID 102967569

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile?
The IUPAC name of 2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile (CID 103537792) is 2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile.
What is the SMILES notation for 2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile?
The canonical SMILES for 2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile is CCNC(C#N)(CN1CCC(OC)C1)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile?
The InChIKey is IKYRQHNNTWKTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-18-16(12-17,14-7-5-4-6-8-14)13-19-10-9-15(11-19)20-2/h4-8,15,18H,3,9-11,13H2,1-2H3.
What are the key properties of 2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile?
2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile has a molecular weight of 273.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile is sourced from PubChem (CID 103537792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).