3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol

C9H11BrClNO — CID 84711249

IUPAC3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
SMILESNC(CCO)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H11BrClNO/c10-6-1-2-8(11)7(5-6)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2
InChIKeyDBZUJPKLCBUZDN-UHFFFAOYSA-N
MW264.55 g/mol
LogP2.48
Rot. Bonds3

About 3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol

3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol (PubChem CID 84711249) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
PubChem CID84711249
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
SMILESNC(CCO)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H11BrClNO/c10-6-1-2-8(11)7(5-6)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2
InChIKeyDBZUJPKLCBUZDN-UHFFFAOYSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol;hydrochloride
CID 171223578
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689
1-(5-bromo-2-chlorophenyl)pent-4-yn-1-amine
CID 115859145
(3S)-3-amino-3-(2-chloro-5-fluorophenyl)propan-1-ol;hydrochloride
CID 171224218
2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride
CID 171198651
1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine
CID 115849776
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
1-(5-bromo-2-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 115820284
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol (CID 84711249) is 3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol is NC(CCO)c1cc(Br)ccc1Cl.
What is the InChIKey of 3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol?
The InChIKey is DBZUJPKLCBUZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO/c10-6-1-2-8(11)7(5-6)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2.
What are the key properties of 3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol?
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol has a molecular weight of 264.55 g/mol, XLogP of 2.48, 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-chlorophenyl)propan-1-ol is sourced from PubChem (CID 84711249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).