2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol

C12H17BrClNO — CID 66156487

IUPAC2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNC(CO)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H17BrClNO/c1-8(2)6-15-12(7-16)10-5-9(14)3-4-11(10)13/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyIQEIYRIZLHYEFY-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.38
Rot. Bonds5

About 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol

2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol (PubChem CID 66156487) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol
PubChem CID66156487
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNC(CO)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H17BrClNO/c1-8(2)6-15-12(7-16)10-5-9(14)3-4-11(10)13/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyIQEIYRIZLHYEFY-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol
CID 66156093
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 81441071
ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 66156658
2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054751
1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine
CID 114027172
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
CID 171203752
1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 114027019
2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61055745
1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol
CID 83158968
2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 114488494
(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol
CID 130741211

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol (CID 66156487) is 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol is CC(C)CNC(CO)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol?
The InChIKey is IQEIYRIZLHYEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO/c1-8(2)6-15-12(7-16)10-5-9(14)3-4-11(10)13/h3-5,8,12,15-16H,6-7H2,1-2H3.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol?
2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol has a molecular weight of 306.63 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 66156487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).