3-amino-4-(2-cyclopentylethoxy)benzonitrile

C14H18N2O — CID 114190833

IUPAC3-amino-4-(2-cyclopentylethoxy)benzonitrile
SMILESN#Cc1ccc(OCCC2CCCC2)c(N)c1
InChIInChI=1S/C14H18N2O/c15-10-12-5-6-14(13(16)9-12)17-8-7-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2
InChIKeyTYWHVPYCPGEBAY-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.10
Rot. Bonds4

About 3-amino-4-(2-cyclopentylethoxy)benzonitrile

3-amino-4-(2-cyclopentylethoxy)benzonitrile (PubChem CID 114190833) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-4-(2-cyclopentylethoxy)benzonitrile.

Molecular Properties

Compound Name3-amino-4-(2-cyclopentylethoxy)benzonitrile
PubChem CID114190833
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-amino-4-(2-cyclopentylethoxy)benzonitrile
SMILESN#Cc1ccc(OCCC2CCCC2)c(N)c1
InChIInChI=1S/C14H18N2O/c15-10-12-5-6-14(13(16)9-12)17-8-7-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2
InChIKeyTYWHVPYCPGEBAY-UHFFFAOYSA-N
XLogP3.10
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65158672
2-(2-cyclobutylethoxy)-5-iodoaniline
CID 106199721
3-amino-4-(4,4,4-trifluorobutoxy)benzonitrile
CID 113326203
3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile
CID 61103813
3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide
CID 55098582
2-(2-cyclobutylethoxy)-5-fluorobenzonitrile
CID 106201555
3-chloro-4-(cyclohexylmethoxy)benzonitrile
CID 60667232
4-(2-cyclohexylethoxy)-3-methylaniline
CID 26189992
3-amino-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzonitrile
CID 104768058
3-fluoro-4-(2-piperidin-2-ylethoxy)benzonitrile
CID 62349113
4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile
CID 115127341
tert-butyl N-[3-(2-amino-4-cyanophenoxy)propyl]carbamate
CID 130270700

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-cyclopentylethoxy)benzonitrile?
The IUPAC name of 3-amino-4-(2-cyclopentylethoxy)benzonitrile (CID 114190833) is 3-amino-4-(2-cyclopentylethoxy)benzonitrile.
What is the SMILES notation for 3-amino-4-(2-cyclopentylethoxy)benzonitrile?
The canonical SMILES for 3-amino-4-(2-cyclopentylethoxy)benzonitrile is N#Cc1ccc(OCCC2CCCC2)c(N)c1.
What is the InChIKey of 3-amino-4-(2-cyclopentylethoxy)benzonitrile?
The InChIKey is TYWHVPYCPGEBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-10-12-5-6-14(13(16)9-12)17-8-7-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2.
What are the key properties of 3-amino-4-(2-cyclopentylethoxy)benzonitrile?
3-amino-4-(2-cyclopentylethoxy)benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-cyclopentylethoxy)benzonitrile is sourced from PubChem (CID 114190833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).