(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride

C9H12BrClFNO — CID 171223240

IUPAC(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1c(F)cccc1Br
InChIInChI=1S/C9H11BrFNO.ClH/c10-6-2-1-3-7(11)9(6)8(12)4-5-13;/h1-3,8,13H,4-5,12H2;1H/t8-;/m0./s1
InChIKeyOYTYMJFBLGSQGX-QRPNPIFTSA-N
MW284.56 g/mol
LogP2.39
Rot. Bonds3

About (3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride

(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride (PubChem CID 171223240) has the molecular formula C9H12BrClFNO and a molecular weight of 284.56 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
PubChem CID171223240
Molecular FormulaC9H12BrClFNO
Molecular Weight284.56 g/mol
Exact Mass282.98
IUPAC Name(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1c(F)cccc1Br
InChIInChI=1S/C9H11BrFNO.ClH/c10-6-2-1-3-7(11)9(6)8(12)4-5-13;/h1-3,8,13H,4-5,12H2;1H/t8-;/m0./s1
InChIKeyOYTYMJFBLGSQGX-QRPNPIFTSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine
CID 171223208
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
2-[(1S)-1-amino-3-hydroxypropyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253035
(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol
CID 130706379
(3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 130804227
(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol
CID 171227356
(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol
CID 102516083
(3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol
CID 130774352
(1S)-1-(2-bromo-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 171223217
(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
CID 171223730
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride (CID 171223240) is (3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride is Cl.N[C@@H](CCO)c1c(F)cccc1Br.
What is the InChIKey of (3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride?
The InChIKey is OYTYMJFBLGSQGX-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11BrFNO.ClH/c10-6-2-1-3-7(11)9(6)8(12)4-5-13;/h1-3,8,13H,4-5,12H2;1H/t8-;/m0./s1.
What are the key properties of (3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride?
(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride has a molecular weight of 284.56 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171223240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).