2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile

C14H18N2O — CID 62496121

IUPAC2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile
SMILESCCCOc1ccc(C(C#N)NC2CC2)cc1
InChIInChI=1S/C14H18N2O/c1-2-9-17-13-7-3-11(4-8-13)14(10-15)16-12-5-6-12/h3-4,7-8,12,14,16H,2,5-6,9H2,1H3
InChIKeyGSXVOTKZSRAGBP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.79
Rot. Bonds6

About 2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile

2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile (PubChem CID 62496121) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile
PubChem CID62496121
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile
SMILESCCCOc1ccc(C(C#N)NC2CC2)cc1
InChIInChI=1S/C14H18N2O/c1-2-9-17-13-7-3-11(4-8-13)14(10-15)16-12-5-6-12/h3-4,7-8,12,14,16H,2,5-6,9H2,1H3
InChIKeyGSXVOTKZSRAGBP-UHFFFAOYSA-N
XLogP2.79
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile 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

2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile
CID 55079116
2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
CID 43151709
2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile
CID 55079162
2-(cyclopentylamino)-2-(4-propoxyphenyl)acetamide
CID 62495956
2-(cyclohexylamino)-2-(3-ethoxyphenyl)acetonitrile
CID 54894477
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine
CID 103779629
2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile
CID 63028658
N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide
CID 60997333
2-isocyanato-2-(4-propoxyphenyl)acetonitrile
CID 82884341
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
2-(butylamino)-2-(4-ethoxyphenyl)acetonitrile
CID 82019956

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile?
The IUPAC name of 2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile (CID 62496121) is 2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile is CCCOc1ccc(C(C#N)NC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile?
The InChIKey is GSXVOTKZSRAGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-9-17-13-7-3-11(4-8-13)14(10-15)16-12-5-6-12/h3-4,7-8,12,14,16H,2,5-6,9H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile?
2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile is sourced from PubChem (CID 62496121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).