(1R)-1-(3-pent-4-enoxyphenyl)ethanamine

C13H19NO — CID 78967500

IUPAC(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
SMILESC=CCCCOc1cccc([C@@H](C)N)c1
InChIInChI=1S/C13H19NO/c1-3-4-5-9-15-13-8-6-7-12(10-13)11(2)14/h3,6-8,10-11H,1,4-5,9,14H2,2H3/t11-/m1/s1
InChIKeyZHXMDQAJHMWKQZ-LLVKDONJSA-N
MW205.30 g/mol
LogP3.05
Rot. Bonds6

About (1R)-1-(3-pent-4-enoxyphenyl)ethanamine

(1R)-1-(3-pent-4-enoxyphenyl)ethanamine (PubChem CID 78967500) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1R)-1-(3-pent-4-enoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
PubChem CID78967500
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
SMILESC=CCCCOc1cccc([C@@H](C)N)c1
InChIInChI=1S/C13H19NO/c1-3-4-5-9-15-13-8-6-7-12(10-13)11(2)14/h3,6-8,10-11H,1,4-5,9,14H2,2H3/t11-/m1/s1
InChIKeyZHXMDQAJHMWKQZ-LLVKDONJSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
1-methoxy-3-pent-4-enoxybenzene
CID 10750277
1-(4-hept-6-enoxyphenyl)ethanamine
CID 107006007
(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine
CID 104893811
5-[3-(1-aminoethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65256729
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methylbutanamide
CID 78953849
3-[3-[(1S)-1-aminoethyl]phenoxy]propanenitrile
CID 55255938
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587902
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-pent-4-enoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(3-pent-4-enoxyphenyl)ethanamine (CID 78967500) is (1R)-1-(3-pent-4-enoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-pent-4-enoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-pent-4-enoxyphenyl)ethanamine is C=CCCCOc1cccc([C@@H](C)N)c1.
What is the InChIKey of (1R)-1-(3-pent-4-enoxyphenyl)ethanamine?
The InChIKey is ZHXMDQAJHMWKQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-4-5-9-15-13-8-6-7-12(10-13)11(2)14/h3,6-8,10-11H,1,4-5,9,14H2,2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-pent-4-enoxyphenyl)ethanamine?
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-pent-4-enoxyphenyl)ethanamine is sourced from PubChem (CID 78967500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).