(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol

C9H12BrNO — CID 39247726

IUPAC(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
SMILESCNC[C@H](O)c1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c1-11-6-9(12)7-3-2-4-8(10)5-7/h2-5,9,11-12H,6H2,1H3/t9-/m0/s1
InChIKeyZSHMDPGVNLYOSQ-VIFPVBQESA-N
MW230.10 g/mol
LogP1.70
Rot. Bonds3

About (1R)-1-(3-bromophenyl)-2-(methylamino)ethanol

(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol (PubChem CID 39247726) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
PubChem CID39247726
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
SMILESCNC[C@H](O)c1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c1-11-6-9(12)7-3-2-4-8(10)5-7/h2-5,9,11-12H,6H2,1H3/t9-/m0/s1
InChIKeyZSHMDPGVNLYOSQ-VIFPVBQESA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901239
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 113362913
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64911419
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
1-(3-bromophenyl)butan-1-ol
CID 18417756
2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
2-(methylamino)-1-(3-nitrosophenyl)ethanol
CID 143634279
1-(3-bromophenyl)-2-(2-methylsulfonylethylamino)ethanol
CID 54935167

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-2-(methylamino)ethanol?
The IUPAC name of (1R)-1-(3-bromophenyl)-2-(methylamino)ethanol (CID 39247726) is (1R)-1-(3-bromophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-2-(methylamino)ethanol?
The canonical SMILES for (1R)-1-(3-bromophenyl)-2-(methylamino)ethanol is CNC[C@H](O)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-2-(methylamino)ethanol?
The InChIKey is ZSHMDPGVNLYOSQ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12BrNO/c1-11-6-9(12)7-3-2-4-8(10)5-7/h2-5,9,11-12H,6H2,1H3/t9-/m0/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-2-(methylamino)ethanol?
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol has a molecular weight of 230.10 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 39247726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).