5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine

C15H24ClNO2 — CID 82353611

IUPAC5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
SMILESNCCCCCOCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO2/c16-14-6-8-15(9-7-14)19-13-5-4-12-18-11-3-1-2-10-17/h6-9H,1-5,10-13,17H2
InChIKeyIMCQWBTXBAGWMH-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.64
Rot. Bonds11

About 5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine

5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine (PubChem CID 82353611) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
PubChem CID82353611
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
SMILESNCCCCCOCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO2/c16-14-6-8-15(9-7-14)19-13-5-4-12-18-11-3-1-2-10-17/h6-9H,1-5,10-13,17H2
InChIKeyIMCQWBTXBAGWMH-UHFFFAOYSA-N
XLogP3.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine 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

3-[4-(4-chlorophenoxy)butoxy]propan-1-amine
CID 82352662
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318
5-[2-(3,4-difluorophenoxy)ethoxy]pentan-1-amine
CID 82353668
5-(3-chloro-4-fluorophenoxy)pentan-1-amine
CID 63877786
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
3-(4-phenoxybutoxy)propan-1-amine
CID 82352658
6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine
CID 158087179
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
5-(4-chlorophenoxy)-N-methylpentan-1-amine
CID 62454431

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine?
The IUPAC name of 5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine (CID 82353611) is 5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine.
What is the SMILES notation for 5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine?
The canonical SMILES for 5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine is NCCCCCOCCCCOc1ccc(Cl)cc1.
What is the InChIKey of 5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine?
The InChIKey is IMCQWBTXBAGWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c16-14-6-8-15(9-7-14)19-13-5-4-12-18-11-3-1-2-10-17/h6-9H,1-5,10-13,17H2.
What are the key properties of 5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine?
5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine has a molecular weight of 285.81 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine is sourced from PubChem (CID 82353611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).