4-(4-chlorophenoxy)butyl-cyclohexylazanium

C16H25ClNO+ — CID 2194993

IUPAC4-(4-chlorophenoxy)butyl-cyclohexylazanium
SMILESClc1ccc(OCCCC[NH2+]C2CCCCC2)cc1
InChIInChI=1S/C16H24ClNO/c17-14-8-10-16(11-9-14)19-13-5-4-12-18-15-6-2-1-3-7-15/h8-11,15,18H,1-7,12-13H2/p+1
InChIKeyJIXNXONJOKPKEG-UHFFFAOYSA-O
MW282.83 g/mol
LogP3.40
Rot. Bonds7

About 4-(4-chlorophenoxy)butyl-cyclohexylazanium

4-(4-chlorophenoxy)butyl-cyclohexylazanium (PubChem CID 2194993) has the molecular formula C16H25ClNO+ and a molecular weight of 282.83 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)butyl-cyclohexylazanium.

Molecular Properties

Compound Name4-(4-chlorophenoxy)butyl-cyclohexylazanium
PubChem CID2194993
Molecular FormulaC16H25ClNO+
Molecular Weight282.83 g/mol
Exact Mass282.16
IUPAC Name4-(4-chlorophenoxy)butyl-cyclohexylazanium
SMILESClc1ccc(OCCCC[NH2+]C2CCCCC2)cc1
InChIInChI=1S/C16H24ClNO/c17-14-8-10-16(11-9-14)19-13-5-4-12-18-15-6-2-1-3-7-15/h8-11,15,18H,1-7,12-13H2/p+1
InChIKeyJIXNXONJOKPKEG-UHFFFAOYSA-O
XLogP3.40
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.83
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl-[3-(4-phenylmethoxyphenoxy)propyl]azanium
CID 2199113
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7473337
3-(2-chloro-3,6-dimethylphenoxy)propyl-cyclopentylazanium
CID 2199624
N-[4-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454256
3-[4-(4-chlorophenoxy)butoxy]propan-1-amine
CID 82352662
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
CID 82353611
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
4-(4-chlorophenoxy)butyl-[(1S)-1-phenylethyl]azanium
CID 2182151

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)butyl-cyclohexylazanium?
The IUPAC name of 4-(4-chlorophenoxy)butyl-cyclohexylazanium (CID 2194993) is 4-(4-chlorophenoxy)butyl-cyclohexylazanium.
What is the SMILES notation for 4-(4-chlorophenoxy)butyl-cyclohexylazanium?
The canonical SMILES for 4-(4-chlorophenoxy)butyl-cyclohexylazanium is Clc1ccc(OCCCC[NH2+]C2CCCCC2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)butyl-cyclohexylazanium?
The InChIKey is JIXNXONJOKPKEG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24ClNO/c17-14-8-10-16(11-9-14)19-13-5-4-12-18-15-6-2-1-3-7-15/h8-11,15,18H,1-7,12-13H2/p+1.
What are the key properties of 4-(4-chlorophenoxy)butyl-cyclohexylazanium?
4-(4-chlorophenoxy)butyl-cyclohexylazanium has a molecular weight of 282.83 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)butyl-cyclohexylazanium is sourced from PubChem (CID 2194993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).