5-methoxy-1-phenylpentan-1-amine

C12H19NO — CID 60926790

IUPAC5-methoxy-1-phenylpentan-1-amine
SMILESCOCCCCC(N)c1ccccc1
InChIInChI=1S/C12H19NO/c1-14-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10,13H2,1H3
InChIKeyCNIPSAFWDYGSJU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds6

About 5-methoxy-1-phenylpentan-1-amine

5-methoxy-1-phenylpentan-1-amine (PubChem CID 60926790) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-methoxy-1-phenylpentan-1-amine.

Molecular Properties

Compound Name5-methoxy-1-phenylpentan-1-amine
PubChem CID60926790
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-methoxy-1-phenylpentan-1-amine
SMILESCOCCCCC(N)c1ccccc1
InChIInChI=1S/C12H19NO/c1-14-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10,13H2,1H3
InChIKeyCNIPSAFWDYGSJU-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-phenylpentan-1-amine?
The IUPAC name of 5-methoxy-1-phenylpentan-1-amine (CID 60926790) is 5-methoxy-1-phenylpentan-1-amine.
What is the SMILES notation for 5-methoxy-1-phenylpentan-1-amine?
The canonical SMILES for 5-methoxy-1-phenylpentan-1-amine is COCCCCC(N)c1ccccc1.
What is the InChIKey of 5-methoxy-1-phenylpentan-1-amine?
The InChIKey is CNIPSAFWDYGSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-14-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10,13H2,1H3.
What are the key properties of 5-methoxy-1-phenylpentan-1-amine?
5-methoxy-1-phenylpentan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-phenylpentan-1-amine is sourced from PubChem (CID 60926790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).