5-(4-chlorophenoxy)-N-propylpentan-1-amine

C14H22ClNO — CID 62454599

IUPAC5-(4-chlorophenoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-2-10-16-11-4-3-5-12-17-14-8-6-13(15)7-9-14/h6-9,16H,2-5,10-12H2,1H3
InChIKeySCPAIUCYFCCAOI-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.89
Rot. Bonds9

About 5-(4-chlorophenoxy)-N-propylpentan-1-amine

5-(4-chlorophenoxy)-N-propylpentan-1-amine (PubChem CID 62454599) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(4-chlorophenoxy)-N-propylpentan-1-amine
PubChem CID62454599
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name5-(4-chlorophenoxy)-N-propylpentan-1-amine
SMILESCCCNCCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-2-10-16-11-4-3-5-12-17-14-8-6-13(15)7-9-14/h6-9,16H,2-5,10-12H2,1H3
InChIKeySCPAIUCYFCCAOI-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
5-(4-chlorophenoxy)-N-methylpentan-1-amine
CID 62454431
N-[4-(4-chlorophenoxy)butyl]-3-methylbutan-1-amine
CID 82104298
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 60683339
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
4-[4-(butylamino)butoxy]phenol
CID 54220189
N-butyl-4-(4-iodophenoxy)butan-1-amine
CID 2247309
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
2-(4-chlorophenoxy)-N-ethylethanamine;hydrochloride
CID 75531594
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenoxy)-N-propylpentan-1-amine?
The IUPAC name of 5-(4-chlorophenoxy)-N-propylpentan-1-amine (CID 62454599) is 5-(4-chlorophenoxy)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(4-chlorophenoxy)-N-propylpentan-1-amine?
The canonical SMILES for 5-(4-chlorophenoxy)-N-propylpentan-1-amine is CCCNCCCCCOc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenoxy)-N-propylpentan-1-amine?
The InChIKey is SCPAIUCYFCCAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-2-10-16-11-4-3-5-12-17-14-8-6-13(15)7-9-14/h6-9,16H,2-5,10-12H2,1H3.
What are the key properties of 5-(4-chlorophenoxy)-N-propylpentan-1-amine?
5-(4-chlorophenoxy)-N-propylpentan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)-N-propylpentan-1-amine is sourced from PubChem (CID 62454599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).