(E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine

C13H17NO — CID 117291812

IUPAC(E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc(OC2CCC2)cc1
InChIInChI=1S/C13H17NO/c14-10-2-3-11-6-8-13(9-7-11)15-12-4-1-5-12/h2-3,6-9,12H,1,4-5,10,14H2/b3-2+
InChIKeyJWEYZUWOGPSIHE-NSCUHMNNSA-N
MW203.28 g/mol
LogP2.59
Rot. Bonds4

About (E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine

(E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine (PubChem CID 117291812) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine
PubChem CID117291812
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc(OC2CCC2)cc1
InChIInChI=1S/C13H17NO/c14-10-2-3-11-6-8-13(9-7-11)15-12-4-1-5-12/h2-3,6-9,12H,1,4-5,10,14H2/b3-2+
InChIKeyJWEYZUWOGPSIHE-NSCUHMNNSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine (CID 117291812) is (E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine is NC/C=C/c1ccc(OC2CCC2)cc1.
What is the InChIKey of (E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine?
The InChIKey is JWEYZUWOGPSIHE-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H17NO/c14-10-2-3-11-6-8-13(9-7-11)15-12-4-1-5-12/h2-3,6-9,12H,1,4-5,10,14H2/b3-2+.
What are the key properties of (E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine?
(E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117291812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).