(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol

C9H12BrNO — CID 93471242

IUPAC(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
SMILESCN[C@H](CO)c1ccccc1Br
InChIInChI=1S/C9H12BrNO/c1-11-9(6-12)7-4-2-3-5-8(7)10/h2-5,9,11-12H,6H2,1H3/t9-/m1/s1
InChIKeyJDFOEVZULSZZCM-SECBINFHSA-N
MW230.10 g/mol
LogP1.70
Rot. Bonds3

About (2S)-2-(2-bromophenyl)-2-(methylamino)ethanol

(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol (PubChem CID 93471242) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is (2S)-2-(2-bromophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
PubChem CID93471242
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
SMILESCN[C@H](CO)c1ccccc1Br
InChIInChI=1S/C9H12BrNO/c1-11-9(6-12)7-4-2-3-5-8(7)10/h2-5,9,11-12H,6H2,1H3/t9-/m1/s1
InChIKeyJDFOEVZULSZZCM-SECBINFHSA-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

3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol
CID 130741127
(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
CID 131031091
2-(3-bromo-2-chlorophenyl)-2-(methylamino)ethanol
CID 130041390
1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116948009
(2R)-2-(2,5-dibromophenyl)-2-(methylamino)ethanol
CID 131062673
N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide
CID 171590028
1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950547
(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
CID 103778600
1-(2-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 116948954
(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 55276460
2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 62415682

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenyl)-2-(methylamino)ethanol?
The IUPAC name of (2S)-2-(2-bromophenyl)-2-(methylamino)ethanol (CID 93471242) is (2S)-2-(2-bromophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for (2S)-2-(2-bromophenyl)-2-(methylamino)ethanol?
The canonical SMILES for (2S)-2-(2-bromophenyl)-2-(methylamino)ethanol is CN[C@H](CO)c1ccccc1Br.
What is the InChIKey of (2S)-2-(2-bromophenyl)-2-(methylamino)ethanol?
The InChIKey is JDFOEVZULSZZCM-SECBINFHSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-11-9(6-12)7-4-2-3-5-8(7)10/h2-5,9,11-12H,6H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-(2-bromophenyl)-2-(methylamino)ethanol?
(2S)-2-(2-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 (2S)-2-(2-bromophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 93471242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).