(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine

C13H19NO2 — CID 82001682

IUPAC(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
SMILESC=CCCOc1cc(OC)ccc1[C@@H](C)N
InChIInChI=1S/C13H19NO2/c1-4-5-8-16-13-9-11(15-3)6-7-12(13)10(2)14/h4,6-7,9-10H,1,5,8,14H2,2-3H3/t10-/m1/s1
InChIKeyBFHWVMNFYVFUSF-SNVBAGLBSA-N
MW221.30 g/mol
LogP2.67
Rot. Bonds6

About (1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine

(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine (PubChem CID 82001682) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
PubChem CID82001682
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
SMILESC=CCCOc1cc(OC)ccc1[C@@H](C)N
InChIInChI=1S/C13H19NO2/c1-4-5-8-16-13-9-11(15-3)6-7-12(13)10(2)14/h4,6-7,9-10H,1,5,8,14H2,2-3H3/t10-/m1/s1
InChIKeyBFHWVMNFYVFUSF-SNVBAGLBSA-N
XLogP2.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
(1R)-1-[4-methoxy-2-(2-propan-2-ylsulfanylethoxy)phenyl]ethanamine
CID 114268547
1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine
CID 113374151
(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 82001145
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
(1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106722435
1-but-3-enoxy-2-iodo-4-methoxybenzene
CID 121219828

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine (CID 82001682) is (1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine is C=CCCOc1cc(OC)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine?
The InChIKey is BFHWVMNFYVFUSF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-5-8-16-13-9-11(15-3)6-7-12(13)10(2)14/h4,6-7,9-10H,1,5,8,14H2,2-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine?
(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 82001682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).