5-(4-methoxyphenoxy)-N-methylpentan-1-amine

C13H21NO2 — CID 62458714

IUPAC5-(4-methoxyphenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-14-10-4-3-5-11-16-13-8-6-12(15-2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyBCFNWMQQMLQHON-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.46
Rot. Bonds8

About 5-(4-methoxyphenoxy)-N-methylpentan-1-amine

5-(4-methoxyphenoxy)-N-methylpentan-1-amine (PubChem CID 62458714) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(4-methoxyphenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(4-methoxyphenoxy)-N-methylpentan-1-amine
PubChem CID62458714
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name5-(4-methoxyphenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-14-10-4-3-5-11-16-13-8-6-12(15-2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyBCFNWMQQMLQHON-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-methoxyphenoxy)-N-methylpentan-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

5-(4-chlorophenoxy)-N-methylpentan-1-amine
CID 62454431
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
1-methoxy-4-tetradecoxybenzene
CID 91712423
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
N-methyl-4-pyridin-4-yloxybutan-1-amine
CID 174683460
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine
CID 103604960
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenoxy)-N-methylpentan-1-amine?
The IUPAC name of 5-(4-methoxyphenoxy)-N-methylpentan-1-amine (CID 62458714) is 5-(4-methoxyphenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(4-methoxyphenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 5-(4-methoxyphenoxy)-N-methylpentan-1-amine is CNCCCCCOc1ccc(OC)cc1.
What is the InChIKey of 5-(4-methoxyphenoxy)-N-methylpentan-1-amine?
The InChIKey is BCFNWMQQMLQHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14-10-4-3-5-11-16-13-8-6-12(15-2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3.
What are the key properties of 5-(4-methoxyphenoxy)-N-methylpentan-1-amine?
5-(4-methoxyphenoxy)-N-methylpentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 62458714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).