(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine

C13H19NO — CID 107899124

IUPAC(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine
SMILESC/C=C/CN[C@H](C)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-4-5-10-14-11(2)12-6-8-13(15-3)9-7-12/h4-9,11,14H,10H2,1-3H3/b5-4+/t11-/m1/s1
InChIKeySYFVSIMDVVGSJJ-SGUJLRQBSA-N
MW205.30 g/mol
LogP2.92
Rot. Bonds5

About (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine

(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine (PubChem CID 107899124) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine
PubChem CID107899124
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine
SMILESC/C=C/CN[C@H](C)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-4-5-10-14-11(2)12-6-8-13(15-3)9-7-12/h4-9,11,14H,10H2,1-3H3/b5-4+/t11-/m1/s1
InChIKeySYFVSIMDVVGSJJ-SGUJLRQBSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-chloro-N-[1-(4-methoxyphenyl)ethyl]but-2-en-1-amine
CID 81430269
(E)-N-[(1R)-1-(4-methylphenyl)ethyl]but-2-en-1-amine
CID 107899120
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
N-[(1R)-1-(4-methoxyphenyl)ethyl]but-3-en-1-amine
CID 71661481
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 81371134
(E)-3-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 106437933
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine?
The IUPAC name of (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine (CID 107899124) is (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine.
What is the SMILES notation for (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine?
The canonical SMILES for (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine is C/C=C/CN[C@H](C)c1ccc(OC)cc1.
What is the InChIKey of (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine?
The InChIKey is SYFVSIMDVVGSJJ-SGUJLRQBSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-5-10-14-11(2)12-6-8-13(15-3)9-7-12/h4-9,11,14H,10H2,1-3H3/b5-4+/t11-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine?
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine is sourced from PubChem (CID 107899124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).