(E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine

C13H19N — CID 118428912

IUPAC(E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine
SMILESCC(C)Cc1ccccc1/C=C/CN
InChIInChI=1S/C13H19N/c1-11(2)10-13-7-4-3-6-12(13)8-5-9-14/h3-8,11H,9-10,14H2,1-2H3/b8-5+
InChIKeyORXZDFLKTIQTEG-VMPITWQZSA-N
MW189.30 g/mol
LogP2.86
Rot. Bonds4

About (E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine

(E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine (PubChem CID 118428912) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine
PubChem CID118428912
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine
SMILESCC(C)Cc1ccccc1/C=C/CN
InChIInChI=1S/C13H19N/c1-11(2)10-13-7-4-3-6-12(13)8-5-9-14/h3-8,11H,9-10,14H2,1-2H3/b8-5+
InChIKeyORXZDFLKTIQTEG-VMPITWQZSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine (CID 118428912) is (E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine is CC(C)Cc1ccccc1/C=C/CN.
What is the InChIKey of (E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine?
The InChIKey is ORXZDFLKTIQTEG-VMPITWQZSA-N. The full InChI is InChI=1S/C13H19N/c1-11(2)10-13-7-4-3-6-12(13)8-5-9-14/h3-8,11H,9-10,14H2,1-2H3/b8-5+.
What are the key properties of (E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine?
(E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 118428912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).