5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile

C15H19ClN2O — CID 133286015

IUPAC5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1NCCCOC1CCCC1
InChIInChI=1S/C15H19ClN2O/c16-13-6-7-15(12(10-13)11-17)18-8-3-9-19-14-4-1-2-5-14/h6-7,10,14,18H,1-5,8-9H2
InChIKeyDGZCTVSCSSVMSD-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.97
Rot. Bonds6

About 5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile

5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile (PubChem CID 133286015) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile
PubChem CID133286015
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1NCCCOC1CCCC1
InChIInChI=1S/C15H19ClN2O/c16-13-6-7-15(12(10-13)11-17)18-8-3-9-19-14-4-1-2-5-14/h6-7,10,14,18H,1-5,8-9H2
InChIKeyDGZCTVSCSSVMSD-UHFFFAOYSA-N
XLogP3.97
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3-piperidin-4-yloxypropylamino)benzonitrile
CID 63869174
5-chloro-2-[2-(cycloheptylamino)ethylamino]benzonitrile
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2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile
CID 63828077
5-chloro-2-(3-phenoxypropylamino)benzonitrile
CID 62492672
5-chloro-2-[3-(2-methylpiperidin-1-yl)propylamino]benzonitrile
CID 62494322
4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63826034
5-bromo-2-[3-(oxolan-3-yloxy)propylamino]benzonitrile
CID 75476716
2-(4-chloro-2-cyanoanilino)ethyl carbamate
CID 83209624
5-chloro-2-[2-(2-methoxyethoxy)ethylamino]benzonitrile
CID 62494859
4-chloro-2-(3-cyclopropylpropylamino)benzonitrile
CID 115637534
5-chloro-2-[2-(methylamino)ethylamino]benzonitrile
CID 62658191
5-chloro-2-(cyclopropylamino)benzonitrile
CID 62494157

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile?
The IUPAC name of 5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile (CID 133286015) is 5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile.
What is the SMILES notation for 5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile?
The canonical SMILES for 5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile is N#Cc1cc(Cl)ccc1NCCCOC1CCCC1.
What is the InChIKey of 5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile?
The InChIKey is DGZCTVSCSSVMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-13-6-7-15(12(10-13)11-17)18-8-3-9-19-14-4-1-2-5-14/h6-7,10,14,18H,1-5,8-9H2.
What are the key properties of 5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile?
5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile has a molecular weight of 278.78 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile is sourced from PubChem (CID 133286015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).