(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol

C9H12BrNO — CID 39247728

IUPAC(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
SMILESCNC[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-11-6-9(12)7-2-4-8(10)5-3-7/h2-5,9,11-12H,6H2,1H3/t9-/m1/s1
InChIKeyQGGFPJXPRUNQJX-SECBINFHSA-N
MW230.10 g/mol
LogP1.70
Rot. Bonds3

About (1S)-1-(4-bromophenyl)-2-(methylamino)ethanol

(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol (PubChem CID 39247728) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
PubChem CID39247728
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
SMILESCNC[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-11-6-9(12)7-2-4-8(10)5-3-7/h2-5,9,11-12H,6H2,1H3/t9-/m1/s1
InChIKeyQGGFPJXPRUNQJX-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

(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
4-[1-hydroxy-2-(methylamino)ethyl]benzonitrile
CID 60904428
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63487797
(1S,2S)-2-(4-bromophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 118675731
1-(4-bromo-3-methoxyphenyl)-2-(methylamino)ethanol
CID 83734466
(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
CID 96804187
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
[4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl] acetate
CID 95004375
2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol
CID 21098586
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-2-(methylamino)ethanol?
The IUPAC name of (1S)-1-(4-bromophenyl)-2-(methylamino)ethanol (CID 39247728) is (1S)-1-(4-bromophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-2-(methylamino)ethanol?
The canonical SMILES for (1S)-1-(4-bromophenyl)-2-(methylamino)ethanol is CNC[C@@H](O)c1ccc(Br)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-2-(methylamino)ethanol?
The InChIKey is QGGFPJXPRUNQJX-SECBINFHSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-11-6-9(12)7-2-4-8(10)5-3-7/h2-5,9,11-12H,6H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-2-(methylamino)ethanol?
(1S)-1-(4-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 (1S)-1-(4-bromophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 39247728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).