4-(4-methoxyphenoxy)-N-propylbutan-1-amine

C14H23NO2 — CID 55077097

IUPAC4-(4-methoxyphenoxy)-N-propylbutan-1-amine
SMILESCCCNCCCCOc1ccc(OC)cc1
InChIInChI=1S/C14H23NO2/c1-3-10-15-11-4-5-12-17-14-8-6-13(16-2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyHJHHMIURWMDVHW-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.85
Rot. Bonds9

About 4-(4-methoxyphenoxy)-N-propylbutan-1-amine

4-(4-methoxyphenoxy)-N-propylbutan-1-amine (PubChem CID 55077097) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-propylbutan-1-amine
PubChem CID55077097
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(4-methoxyphenoxy)-N-propylbutan-1-amine
SMILESCCCNCCCCOc1ccc(OC)cc1
InChIInChI=1S/C14H23NO2/c1-3-10-15-11-4-5-12-17-14-8-6-13(16-2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyHJHHMIURWMDVHW-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
5-(4-chlorophenoxy)-N-propylpentan-1-amine
CID 62454599
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
1-methoxy-4-tetradecoxybenzene
CID 91712423
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
CID 83960627
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775
4-[4-(butylamino)butoxy]phenol
CID 54220189
N-butyl-4-(4-iodophenoxy)butan-1-amine
CID 2247309
N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine
CID 103604960

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-propylbutan-1-amine?
The IUPAC name of 4-(4-methoxyphenoxy)-N-propylbutan-1-amine (CID 55077097) is 4-(4-methoxyphenoxy)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-propylbutan-1-amine?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-propylbutan-1-amine is CCCNCCCCOc1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-propylbutan-1-amine?
The InChIKey is HJHHMIURWMDVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-10-15-11-4-5-12-17-14-8-6-13(16-2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3.
What are the key properties of 4-(4-methoxyphenoxy)-N-propylbutan-1-amine?
4-(4-methoxyphenoxy)-N-propylbutan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-propylbutan-1-amine is sourced from PubChem (CID 55077097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).