3-[(4-ethenylphenyl)methoxy]propan-1-amine

C12H17NO — CID 164938330

IUPAC3-[(4-ethenylphenyl)methoxy]propan-1-amine
SMILESC=Cc1ccc(COCCCN)cc1
InChIInChI=1S/C12H17NO/c1-2-11-4-6-12(7-5-11)10-14-9-3-8-13/h2,4-7H,1,3,8-10,13H2
InChIKeyILHYQIXIXQWNGU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.19
Rot. Bonds6

About 3-[(4-ethenylphenyl)methoxy]propan-1-amine

3-[(4-ethenylphenyl)methoxy]propan-1-amine (PubChem CID 164938330) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-[(4-ethenylphenyl)methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(4-ethenylphenyl)methoxy]propan-1-amine
PubChem CID164938330
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-[(4-ethenylphenyl)methoxy]propan-1-amine
SMILESC=Cc1ccc(COCCCN)cc1
InChIInChI=1S/C12H17NO/c1-2-11-4-6-12(7-5-11)10-14-9-3-8-13/h2,4-7H,1,3,8-10,13H2
InChIKeyILHYQIXIXQWNGU-UHFFFAOYSA-N
XLogP2.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.19
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 3-[(4-ethenylphenyl)methoxy]propan-1-amine?
The IUPAC name of 3-[(4-ethenylphenyl)methoxy]propan-1-amine (CID 164938330) is 3-[(4-ethenylphenyl)methoxy]propan-1-amine.
What is the SMILES notation for 3-[(4-ethenylphenyl)methoxy]propan-1-amine?
The canonical SMILES for 3-[(4-ethenylphenyl)methoxy]propan-1-amine is C=Cc1ccc(COCCCN)cc1.
What is the InChIKey of 3-[(4-ethenylphenyl)methoxy]propan-1-amine?
The InChIKey is ILHYQIXIXQWNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-11-4-6-12(7-5-11)10-14-9-3-8-13/h2,4-7H,1,3,8-10,13H2.
What are the key properties of 3-[(4-ethenylphenyl)methoxy]propan-1-amine?
3-[(4-ethenylphenyl)methoxy]propan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethenylphenyl)methoxy]propan-1-amine is sourced from PubChem (CID 164938330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).