4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol

C10H13Br2NO3 — CID 170874488

IUPAC4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol
SMILESCOc1cc(C(N)CCO)c(Br)c(Br)c1O
InChIInChI=1S/C10H13Br2NO3/c1-16-7-4-5(6(13)2-3-14)8(11)9(12)10(7)15/h4,6,14-15H,2-3,13H2,1H3
InChIKeyJDYBVQGHRCJUNL-UHFFFAOYSA-N
MW355.03 g/mol
LogP2.31
Rot. Bonds4

About 4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol

4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol (PubChem CID 170874488) has the molecular formula C10H13Br2NO3 and a molecular weight of 355.03 g/mol. Its IUPAC name is 4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol.

Molecular Properties

Compound Name4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol
PubChem CID170874488
Molecular FormulaC10H13Br2NO3
Molecular Weight355.03 g/mol
Exact Mass352.93
IUPAC Name4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol
SMILESCOc1cc(C(N)CCO)c(Br)c(Br)c1O
InChIInChI=1S/C10H13Br2NO3/c1-16-7-4-5(6(13)2-3-14)8(11)9(12)10(7)15/h4,6,14-15H,2-3,13H2,1H3
InChIKeyJDYBVQGHRCJUNL-UHFFFAOYSA-N
XLogP2.31
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.03
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol
CID 171235131
4-[(1S)-1-amino-4,4,4-trifluorobutyl]-2,3-dibromo-6-methoxyphenol
CID 171235129
4-[(1S)-1-amino-3-methylbutyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171235124
4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171313994
(3R)-3-amino-3-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)propanenitrile
CID 131471017
4-[(1S)-1-aminobut-3-enyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171235118
4-[(1S)-1-amino-2-methylbutyl]-2,3-dibromo-6-methoxyphenol
CID 171235148
4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol
CID 171226166
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
2-[(1R)-1-amino-4-hydroxybutyl]-4-bromo-6-methoxyphenol
CID 171212914
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171265810
(3S)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171221844

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol?
The IUPAC name of 4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol (CID 170874488) is 4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol.
What is the SMILES notation for 4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol?
The canonical SMILES for 4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol is COc1cc(C(N)CCO)c(Br)c(Br)c1O.
What is the InChIKey of 4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol?
The InChIKey is JDYBVQGHRCJUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO3/c1-16-7-4-5(6(13)2-3-14)8(11)9(12)10(7)15/h4,6,14-15H,2-3,13H2,1H3.
What are the key properties of 4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol?
4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol has a molecular weight of 355.03 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol is sourced from PubChem (CID 170874488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).