2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol

C10H13BrClNO — CID 83904589

IUPAC2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol
SMILESCC(CN)Cc1cc(Cl)cc(Br)c1O
InChIInChI=1S/C10H13BrClNO/c1-6(5-13)2-7-3-8(12)4-9(11)10(7)14/h3-4,6,14H,2,5,13H2,1H3
InChIKeyZOBHOWKEWJQQQL-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.95
Rot. Bonds3

About 2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol

2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol (PubChem CID 83904589) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol
PubChem CID83904589
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol
SMILESCC(CN)Cc1cc(Cl)cc(Br)c1O
InChIInChI=1S/C10H13BrClNO/c1-6(5-13)2-7-3-8(12)4-9(11)10(7)14/h3-4,6,14H,2,5,13H2,1H3
InChIKeyZOBHOWKEWJQQQL-UHFFFAOYSA-N
XLogP2.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol
CID 83901631
2-bromo-4-chloro-6-(2-hydroxyethyl)phenol
CID 25225387
2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol
CID 130611692
2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol
CID 83903801
2,6-dibromo-4-chlorophenol
CID 21394
2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol
CID 130783623
2-(aminomethyl)-4-chloro-6-propan-2-ylphenol
CID 82265863
2,6-bis(2-aminobutyl)-4-chlorophenol
CID 170888954
methyl (2S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 171104078
2-bromo-6-[[3-[(3-bromo-5-fluoro-2-hydroxyphenyl)methyl]-5-chloro-2-hydroxyphenyl]methyl]-4-fluorophenol
CID 13064199
1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one
CID 62381030
3-(3-bromo-5-chloro-2-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880364

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol?
The IUPAC name of 2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol (CID 83904589) is 2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol?
The canonical SMILES for 2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol is CC(CN)Cc1cc(Cl)cc(Br)c1O.
What is the InChIKey of 2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol?
The InChIKey is ZOBHOWKEWJQQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO/c1-6(5-13)2-7-3-8(12)4-9(11)10(7)14/h3-4,6,14H,2,5,13H2,1H3.
What are the key properties of 2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol?
2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol has a molecular weight of 278.58 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol is sourced from PubChem (CID 83904589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).