(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine

C12H16BrNO2 — CID 82001145

IUPAC(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine
SMILESC=C(Br)COc1cc(OC)ccc1[C@@H](C)N
InChIInChI=1S/C12H16BrNO2/c1-8(13)7-16-12-6-10(15-3)4-5-11(12)9(2)14/h4-6,9H,1,7,14H2,2-3H3/t9-/m1/s1
InChIKeyUIUVRYKFRJPGQF-SECBINFHSA-N
MW286.17 g/mol
LogP3.00
Rot. Bonds5

About (1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine

(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine (PubChem CID 82001145) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is (1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine
PubChem CID82001145
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine
SMILESC=C(Br)COc1cc(OC)ccc1[C@@H](C)N
InChIInChI=1S/C12H16BrNO2/c1-8(13)7-16-12-6-10(15-3)4-5-11(12)9(2)14/h4-6,9H,1,7,14H2,2-3H3/t9-/m1/s1
InChIKeyUIUVRYKFRJPGQF-SECBINFHSA-N
XLogP3.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine
CID 102946785
1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114492274
(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
CID 82001682
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid
CID 61379603
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 82000074
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine (CID 82001145) is (1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine is C=C(Br)COc1cc(OC)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine?
The InChIKey is UIUVRYKFRJPGQF-SECBINFHSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(13)7-16-12-6-10(15-3)4-5-11(12)9(2)14/h4-6,9H,1,7,14H2,2-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine?
(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine has a molecular weight of 286.17 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 82001145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).