(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol

C10H14BrNO — CID 130612521

IUPAC(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
SMILESCc1ccc(Br)c([C@H](N)C(C)O)c1
InChIInChI=1S/C10H14BrNO/c1-6-3-4-9(11)8(5-6)10(12)7(2)13/h3-5,7,10,13H,12H2,1-2H3/t7?,10-/m1/s1
InChIKeyGBKNBLDHEAPDMD-OMNKOJBGSA-N
MW244.13 g/mol
LogP2.14
Rot. Bonds2

About (1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol

(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol (PubChem CID 130612521) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is (1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
PubChem CID130612521
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
SMILESCc1ccc(Br)c([C@H](N)C(C)O)c1
InChIInChI=1S/C10H14BrNO/c1-6-3-4-9(11)8(5-6)10(12)7(2)13/h3-5,7,10,13H,12H2,1-2H3/t7?,10-/m1/s1
InChIKeyGBKNBLDHEAPDMD-OMNKOJBGSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
CID 131010900
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
CID 171261686
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 55293346
(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 130969127
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
1-(2-bromo-5-methylphenyl)-2-ethylbutan-1-amine
CID 105014086
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181
1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol
CID 83988258
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol?
The IUPAC name of (1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol (CID 130612521) is (1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol is Cc1ccc(Br)c([C@H](N)C(C)O)c1.
What is the InChIKey of (1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol?
The InChIKey is GBKNBLDHEAPDMD-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-6-3-4-9(11)8(5-6)10(12)7(2)13/h3-5,7,10,13H,12H2,1-2H3/t7?,10-/m1/s1.
What are the key properties of (1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol?
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol has a molecular weight of 244.13 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol is sourced from PubChem (CID 130612521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).