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

C9H11BrClNO — CID 130002447

IUPAC3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol
SMILESNC(CCO)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H11BrClNO/c10-7-3-6(4-8(11)5-7)9(12)1-2-13/h3-5,9,13H,1-2,12H2
InChIKeyMISDMCBKTDOFQF-UHFFFAOYSA-N
MW264.55 g/mol
LogP2.48
Rot. Bonds3

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

3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol (PubChem CID 130002447) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol
PubChem CID130002447
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol
SMILESNC(CCO)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H11BrClNO/c10-7-3-6(4-8(11)5-7)9(12)1-2-13/h3-5,9,13H,1-2,12H2
InChIKeyMISDMCBKTDOFQF-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-(3,5-dichlorophenyl)propan-1-ol;hydrochloride
CID 171202547
(1R)-1-(3-bromo-5-chlorophenyl)butan-1-amine
CID 130706946
(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171213954
(4S)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171233582
1-(3-bromo-5-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 107945285
1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine
CID 107945539
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 107945558
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol
CID 130664393
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114019369
1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 107945220

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol (CID 130002447) is 3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol is NC(CCO)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol?
The InChIKey is MISDMCBKTDOFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO/c10-7-3-6(4-8(11)5-7)9(12)1-2-13/h3-5,9,13H,1-2,12H2.
What are the key properties of 3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol?
3-amino-3-(3-bromo-5-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-(3-bromo-5-chlorophenyl)propan-1-ol is sourced from PubChem (CID 130002447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).