2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol

C10H14BrNO2 — CID 66515348

IUPAC2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol
SMILESCCc1cc(Br)c(O)c([C@H](N)CO)c1
InChIInChI=1S/C10H14BrNO2/c1-2-6-3-7(9(12)5-13)10(14)8(11)4-6/h3-4,9,13-14H,2,5,12H2,1H3/t9-/m1/s1
InChIKeyXSTNNGJQOYTYRP-SECBINFHSA-N
MW260.13 g/mol
LogP1.71
Rot. Bonds3

About 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol

2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol (PubChem CID 66515348) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol
PubChem CID66515348
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol
SMILESCCc1cc(Br)c(O)c([C@H](N)CO)c1
InChIInChI=1S/C10H14BrNO2/c1-2-6-3-7(9(12)5-13)10(14)8(11)4-6/h3-4,9,13-14H,2,5,12H2,1H3/t9-/m1/s1
InChIKeyXSTNNGJQOYTYRP-SECBINFHSA-N
XLogP1.71
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-amino-2-hydroxyethyl)-6-bromo-4-(methoxymethyl)phenol
CID 83904365
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-tert-butylphenol
CID 66515741
2-[(1R)-1-amino-2-hydroxyethyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253657
2-[(1S)-1-amino-2-hydroxyethyl]-4-ethyl-6-nitrophenol
CID 66514974
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
methyl 2-(3-bromo-5-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117466749
2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol
CID 66515433
2-bromo-4-[(4-ethyl-2,6-dimethylphenyl)methyl]-6-propan-2-ylphenol
CID 174546335
2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol
CID 131167038
2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol
CID 131473324
2-[(1S)-1-aminopropyl]-6-bromo-4-methoxyphenol
CID 130699655

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol?
The IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol (CID 66515348) is 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol?
The canonical SMILES for 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol is CCc1cc(Br)c(O)c([C@H](N)CO)c1.
What is the InChIKey of 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol?
The InChIKey is XSTNNGJQOYTYRP-SECBINFHSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-2-6-3-7(9(12)5-13)10(14)8(11)4-6/h3-4,9,13-14H,2,5,12H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol?
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol has a molecular weight of 260.13 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-ethylphenol is sourced from PubChem (CID 66515348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).