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

C11H15BrFNO — CID 84810969

IUPAC3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(C(O)CCN)c(C)c(F)c1Br
InChIInChI=1S/C11H15BrFNO/c1-6-5-8(9(15)3-4-14)7(2)11(13)10(6)12/h5,9,15H,3-4,14H2,1-2H3
InChIKeyPYBLZIGDHOAQEY-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.59
Rot. Bonds3

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

3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol (PubChem CID 84810969) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol
PubChem CID84810969
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(C(O)CCN)c(C)c(F)c1Br
InChIInChI=1S/C11H15BrFNO/c1-6-5-8(9(15)3-4-14)7(2)11(13)10(6)12/h5,9,15H,3-4,14H2,1-2H3
InChIKeyPYBLZIGDHOAQEY-UHFFFAOYSA-N
XLogP2.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 84814417
5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol
CID 84793357
4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84811684
CID 87630182
CID 87630182
3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
CID 84806995
3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol
CID 81116743
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 84714748
(1R)-3-amino-1-(3-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 90212502
3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol
CID 84788316
2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol
CID 117284183
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol (CID 84810969) is 3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol is Cc1cc(C(O)CCN)c(C)c(F)c1Br.
What is the InChIKey of 3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol?
The InChIKey is PYBLZIGDHOAQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-6-5-8(9(15)3-4-14)7(2)11(13)10(6)12/h5,9,15H,3-4,14H2,1-2H3.
What are the key properties of 3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol?
3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol has a molecular weight of 276.15 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 84810969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).