1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol

C11H15BrClNO — CID 83240387

IUPAC1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H15BrClNO/c1-7(2)14-6-11(15)8-3-4-10(13)9(12)5-8/h3-5,7,11,14-15H,6H2,1-2H3
InChIKeyNYGWDAYCWOXLRS-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.13
Rot. Bonds4

About 1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol

1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 83240387) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol
PubChem CID83240387
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H15BrClNO/c1-7(2)14-6-11(15)8-3-4-10(13)9(12)5-8/h3-5,7,11,14-15H,6H2,1-2H3
InChIKeyNYGWDAYCWOXLRS-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 81442005
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
1-(3-bromo-4-chlorophenyl)undecan-1-ol
CID 115566565
N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
CID 162345152
1-(3-bromo-4-chlorophenyl)but-3-en-1-ol
CID 115566306
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
(1R)-1-(3-bromo-4-chlorophenyl)-N-methylethanamine
CID 130682400
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)ethanol
CID 112514138
1-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 172687995
(3-bromo-4-chlorophenyl)-(4-butan-2-ylphenyl)methanol
CID 107991127

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol (CID 83240387) is 1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is NYGWDAYCWOXLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO/c1-7(2)14-6-11(15)8-3-4-10(13)9(12)5-8/h3-5,7,11,14-15H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 292.60 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 83240387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).