1-phenylethenamine

C8H9N — CID 18522818

IUPAC1-phenylethenamine
SMILESC=C(N)c1ccccc1
InChIInChI=1S/C8H9N/c1-7(9)8-5-3-2-4-6-8/h2-6H,1,9H2
InChIKeyFUXMOFPWLDVQTM-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.62
Rot. Bonds1

About 1-phenylethenamine

1-phenylethenamine (PubChem CID 18522818) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 1-phenylethenamine.

Molecular Properties

Compound Name1-phenylethenamine
PubChem CID18522818
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name1-phenylethenamine
SMILESC=C(N)c1ccccc1
InChIInChI=1S/C8H9N/c1-7(9)8-5-3-2-4-6-8/h2-6H,1,9H2
InChIKeyFUXMOFPWLDVQTM-UHFFFAOYSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenylethenamine?
The IUPAC name of 1-phenylethenamine (CID 18522818) is 1-phenylethenamine.
What is the SMILES notation for 1-phenylethenamine?
The canonical SMILES for 1-phenylethenamine is C=C(N)c1ccccc1.
What is the InChIKey of 1-phenylethenamine?
The InChIKey is FUXMOFPWLDVQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-7(9)8-5-3-2-4-6-8/h2-6H,1,9H2.
What are the key properties of 1-phenylethenamine?
1-phenylethenamine has a molecular weight of 119.17 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethenamine is sourced from PubChem (CID 18522818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).