3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride

C9H12BrClFNO — CID 170874533

IUPAC3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1ccc(F)c(Br)c1
InChIInChI=1S/C9H11BrFNO.ClH/c10-7-5-6(1-2-8(7)11)9(12)3-4-13;/h1-2,5,9,13H,3-4,12H2;1H
InChIKeyAYWFCOCWUXBRCY-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.39
Rot. Bonds3

About 3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride

3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride (PubChem CID 170874533) has the molecular formula C9H12BrClFNO and a molecular weight of 284.56 g/mol. Its IUPAC name is 3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride
PubChem CID170874533
Molecular FormulaC9H12BrClFNO
Molecular Weight284.56 g/mol
Exact Mass282.98
IUPAC Name3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1ccc(F)c(Br)c1
InChIInChI=1S/C9H11BrFNO.ClH/c10-7-5-6(1-2-8(7)11)9(12)3-4-13;/h1-2,5,9,13H,3-4,12H2;1H
InChIKeyAYWFCOCWUXBRCY-UHFFFAOYSA-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-(3-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220445
(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171200915
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171200922
(1S)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79020953
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010
1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79016413
(1S)-1-(3-bromo-4-fluorophenyl)pentan-1-amine
CID 146013246
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171200921
5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
CID 55270722
5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid
CID 79736889
3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
CID 64814499

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride (CID 170874533) is 3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride is Cl.NC(CCO)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride?
The InChIKey is AYWFCOCWUXBRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO.ClH/c10-7-5-6(1-2-8(7)11)9(12)3-4-13;/h1-2,5,9,13H,3-4,12H2;1H.
What are the key properties of 3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride?
3-amino-3-(3-bromo-4-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 3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170874533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).