(E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine

C13H17NO — CID 114520420

IUPAC(E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine
SMILESNCC/C=C/c1ccc(OC2CC2)cc1
InChIInChI=1S/C13H17NO/c14-10-2-1-3-11-4-6-12(7-5-11)15-13-8-9-13/h1,3-7,13H,2,8-10,14H2/b3-1+
InChIKeyQLFOTCDSWGKKQQ-HNQUOIGGSA-N
MW203.28 g/mol
LogP2.59
Rot. Bonds5

About (E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine

(E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine (PubChem CID 114520420) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine
PubChem CID114520420
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine
SMILESNCC/C=C/c1ccc(OC2CC2)cc1
InChIInChI=1S/C13H17NO/c14-10-2-1-3-11-4-6-12(7-5-11)15-13-8-9-13/h1,3-7,13H,2,8-10,14H2/b3-1+
InChIKeyQLFOTCDSWGKKQQ-HNQUOIGGSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine?
The IUPAC name of (E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine (CID 114520420) is (E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine is NCC/C=C/c1ccc(OC2CC2)cc1.
What is the InChIKey of (E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine?
The InChIKey is QLFOTCDSWGKKQQ-HNQUOIGGSA-N. The full InChI is InChI=1S/C13H17NO/c14-10-2-1-3-11-4-6-12(7-5-11)15-13-8-9-13/h1,3-7,13H,2,8-10,14H2/b3-1+.
What are the key properties of (E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine?
(E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine is sourced from PubChem (CID 114520420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).