[2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium

C11H14ClN2O+ — CID 176714234

IUPAC[2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium
SMILESO=[NH+]c1c(Cl)cccc1NC1CCCC1
InChIInChI=1S/C11H13ClN2O/c12-9-6-3-7-10(11(9)14-15)13-8-4-1-2-5-8/h3,6-8,13H,1-2,4-5H2/p+1
InChIKeyWUSSXYOTAPFDOR-UHFFFAOYSA-O
MW225.70 g/mol
LogP2.17
Rot. Bonds3

About [2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium

[2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium (PubChem CID 176714234) has the molecular formula C11H14ClN2O+ and a molecular weight of 225.70 g/mol. Its IUPAC name is [2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium.

Molecular Properties

Compound Name[2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium
PubChem CID176714234
Molecular FormulaC11H14ClN2O+
Molecular Weight225.70 g/mol
Exact Mass225.08
IUPAC Name[2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium
SMILESO=[NH+]c1c(Cl)cccc1NC1CCCC1
InChIInChI=1S/C11H13ClN2O/c12-9-6-3-7-10(11(9)14-15)13-8-4-1-2-5-8/h3,6-8,13H,1-2,4-5H2/p+1
InChIKeyWUSSXYOTAPFDOR-UHFFFAOYSA-O
XLogP2.17
TPSA43.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-chloro-N-cyclopentyl-2-methoxyaniline
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CID 117027455
N-(2-chlorophenyl)-1,1-dioxothian-4-amine
CID 43511535
N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine
CID 3576043
N-(3-chloro-2-methylphenyl)-1,1-dioxothian-4-amine
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N-(2-chlorophenyl)-1,1-dioxothian-3-amine
CID 63910258
2-chloro-N-cyclobutyl-6-nitroaniline
CID 62416552

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium?
The IUPAC name of [2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium (CID 176714234) is [2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium.
What is the SMILES notation for [2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium?
The canonical SMILES for [2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium is O=[NH+]c1c(Cl)cccc1NC1CCCC1.
What is the InChIKey of [2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium?
The InChIKey is WUSSXYOTAPFDOR-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13ClN2O/c12-9-6-3-7-10(11(9)14-15)13-8-4-1-2-5-8/h3,6-8,13H,1-2,4-5H2/p+1.
What are the key properties of [2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium?
[2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium has a molecular weight of 225.70 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium is sourced from PubChem (CID 176714234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).