2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol

C10H14BrNO3 — CID 83904365

IUPAC2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol
SMILESCOCc1cc(Br)c(O)c(C(N)CO)c1
InChIInChI=1S/C10H14BrNO3/c1-15-5-6-2-7(9(12)4-13)10(14)8(11)3-6/h2-3,9,13-14H,4-5,12H2,1H3
InChIKeyOXQVNQRQKSRTNV-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.29
Rot. Bonds4

About 2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol

2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol (PubChem CID 83904365) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol
PubChem CID83904365
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol
SMILESCOCc1cc(Br)c(O)c(C(N)CO)c1
InChIInChI=1S/C10H14BrNO3/c1-15-5-6-2-7(9(12)4-13)10(14)8(11)3-6/h2-3,9,13-14H,4-5,12H2,1H3
InChIKeyOXQVNQRQKSRTNV-UHFFFAOYSA-N
XLogP1.29
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol
CID 66515348
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-tert-butylphenol
CID 66515741
2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355242
2-[(1R)-1-amino-2-hydroxyethyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253657
2-amino-2-[2-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 83885403
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-(trifluoromethoxy)phenol
CID 66516297
2-(1-amino-2-hydroxyethyl)-6-bromo-4-(trifluoromethyl)phenol
CID 77130561
2-[(1S)-1-aminopropyl]-6-bromo-4-methoxyphenol
CID 130699655
2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol
CID 131167038
2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol;hydrochloride
CID 171257647
2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid
CID 117471361
6-(1-amino-2-hydroxyethyl)-2-bromo-3-methoxy-4-methylphenol
CID 84810918

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol (CID 83904365) is 2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol is COCc1cc(Br)c(O)c(C(N)CO)c1.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol?
The InChIKey is OXQVNQRQKSRTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-15-5-6-2-7(9(12)4-13)10(14)8(11)3-6/h2-3,9,13-14H,4-5,12H2,1H3.
What are the key properties of 2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol?
2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol has a molecular weight of 276.13 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol is sourced from PubChem (CID 83904365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).