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

C13H17NO — CID 114523455

IUPAC(E)-4-(3-cyclopropyloxyphenyl)but-3-en-1-amine
SMILESNCC/C=C/c1cccc(OC2CC2)c1
InChIInChI=1S/C13H17NO/c14-9-2-1-4-11-5-3-6-13(10-11)15-12-7-8-12/h1,3-6,10,12H,2,7-9,14H2/b4-1+
InChIKeyVFTIDIQOYIYAQL-DAFODLJHSA-N
MW203.28 g/mol
LogP2.59
Rot. Bonds5

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

(E)-4-(3-cyclopropyloxyphenyl)but-3-en-1-amine (PubChem CID 114523455) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-4-(3-cyclopropyloxyphenyl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(3-cyclopropyloxyphenyl)but-3-en-1-amine
PubChem CID114523455
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-4-(3-cyclopropyloxyphenyl)but-3-en-1-amine
SMILESNCC/C=C/c1cccc(OC2CC2)c1
InChIInChI=1S/C13H17NO/c14-9-2-1-4-11-5-3-6-13(10-11)15-12-7-8-12/h1,3-6,10,12H,2,7-9,14H2/b4-1+
InChIKeyVFTIDIQOYIYAQL-DAFODLJHSA-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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Related Compounds

(E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine
CID 114520420
(Z)-4-(3-chlorophenyl)but-3-en-1-amine
CID 58679830
(E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine
CID 117281499
3-[3-(4-methylcyclohexyl)oxyphenyl]prop-2-enoic acid
CID 77052872
3-[(E)-4-aminobut-1-enyl]-N-methylaniline
CID 21184900
methyl 3-(4-aminobut-1-enyl)benzoate
CID 170487184
(E)-3-(4-cyclobutyloxyphenyl)prop-2-en-1-amine
CID 117291812
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
(E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine
CID 116546322
3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine
CID 114523516
4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol
CID 114523428

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-cyclopropyloxyphenyl)but-3-en-1-amine?
The IUPAC name of (E)-4-(3-cyclopropyloxyphenyl)but-3-en-1-amine (CID 114523455) is (E)-4-(3-cyclopropyloxyphenyl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(3-cyclopropyloxyphenyl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(3-cyclopropyloxyphenyl)but-3-en-1-amine is NCC/C=C/c1cccc(OC2CC2)c1.
What is the InChIKey of (E)-4-(3-cyclopropyloxyphenyl)but-3-en-1-amine?
The InChIKey is VFTIDIQOYIYAQL-DAFODLJHSA-N. The full InChI is InChI=1S/C13H17NO/c14-9-2-1-4-11-5-3-6-13(10-11)15-12-7-8-12/h1,3-6,10,12H,2,7-9,14H2/b4-1+.
What are the key properties of (E)-4-(3-cyclopropyloxyphenyl)but-3-en-1-amine?
(E)-4-(3-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-(3-cyclopropyloxyphenyl)but-3-en-1-amine is sourced from PubChem (CID 114523455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).