2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol

C10H14BrNO2 — CID 82623845

IUPAC2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(C)N)c(Br)c1
InChIInChI=1S/C10H14BrNO2/c1-6(12)10(13)8-4-3-7(14-2)5-9(8)11/h3-6,10,13H,12H2,1-2H3
InChIKeyDVKQVYGETCDZBI-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.84
Rot. Bonds3

About 2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol

2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol (PubChem CID 82623845) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
PubChem CID82623845
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(C)N)c(Br)c1
InChIInChI=1S/C10H14BrNO2/c1-6(12)10(13)8-4-3-7(14-2)5-9(8)11/h3-6,10,13H,12H2,1-2H3
InChIKeyDVKQVYGETCDZBI-UHFFFAOYSA-N
XLogP1.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine
CID 60786291
(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 130969127
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849
2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid
CID 82623810
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941
(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine
CID 3340478
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol (CID 82623845) is 2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol is COc1ccc(C(O)C(C)N)c(Br)c1.
What is the InChIKey of 2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol?
The InChIKey is DVKQVYGETCDZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6(12)10(13)8-4-3-7(14-2)5-9(8)11/h3-6,10,13H,12H2,1-2H3.
What are the key properties of 2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol?
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol has a molecular weight of 260.13 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 82623845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).