3-phenylprop-1-en-2-amine

C9H11N — CID 55283796

IUPAC3-phenylprop-1-en-2-amine
SMILESC=C(N)Cc1ccccc1
InChIInChI=1S/C9H11N/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,1,7,10H2
InChIKeyLTAOLAFTTOOTHE-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.70
Rot. Bonds2

About 3-phenylprop-1-en-2-amine

3-phenylprop-1-en-2-amine (PubChem CID 55283796) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 3-phenylprop-1-en-2-amine.

Molecular Properties

Compound Name3-phenylprop-1-en-2-amine
PubChem CID55283796
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name3-phenylprop-1-en-2-amine
SMILESC=C(N)Cc1ccccc1
InChIInChI=1S/C9H11N/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,1,7,10H2
InChIKeyLTAOLAFTTOOTHE-UHFFFAOYSA-N
XLogP1.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-1-en-2-amine?
The IUPAC name of 3-phenylprop-1-en-2-amine (CID 55283796) is 3-phenylprop-1-en-2-amine.
What is the SMILES notation for 3-phenylprop-1-en-2-amine?
The canonical SMILES for 3-phenylprop-1-en-2-amine is C=C(N)Cc1ccccc1.
What is the InChIKey of 3-phenylprop-1-en-2-amine?
The InChIKey is LTAOLAFTTOOTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,1,7,10H2.
What are the key properties of 3-phenylprop-1-en-2-amine?
3-phenylprop-1-en-2-amine has a molecular weight of 133.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-1-en-2-amine is sourced from PubChem (CID 55283796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).