3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol

C11H16BrNO — CID 84805874

IUPAC3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(N)CCO)cc1Br
InChIInChI=1S/C11H16BrNO/c1-7-5-8(2)10(12)6-9(7)11(13)3-4-14/h5-6,11,14H,3-4,13H2,1-2H3
InChIKeyBWEBNEPEVBSLBF-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.45
Rot. Bonds3

About 3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol

3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol (PubChem CID 84805874) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol
PubChem CID84805874
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(N)CCO)cc1Br
InChIInChI=1S/C11H16BrNO/c1-7-5-8(2)10(12)6-9(7)11(13)3-4-14/h5-6,11,14H,3-4,13H2,1-2H3
InChIKeyBWEBNEPEVBSLBF-UHFFFAOYSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol
CID 131128288
(3S)-3-amino-3-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 131011081
(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol
CID 130955641
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-5-methylphenol
CID 66515434
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 55264636
3-amino-3-(2-bromo-4,6-dimethylphenyl)propan-1-ol
CID 84805872
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689
3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol
CID 84782788
6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol
CID 131429576
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol (CID 84805874) is 3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol is Cc1cc(C)c(C(N)CCO)cc1Br.
What is the InChIKey of 3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol?
The InChIKey is BWEBNEPEVBSLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7-5-8(2)10(12)6-9(7)11(13)3-4-14/h5-6,11,14H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol?
3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol has a molecular weight of 258.16 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 84805874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).