2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide

C11H15BrN2O2 — CID 60901239

IUPAC2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(O)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-13-11(16)7-14-6-10(15)8-3-2-4-9(12)5-8/h2-5,10,14-15H,6-7H2,1H3,(H,13,16)
InChIKeyCYXIRGVXRIGQQC-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.82
Rot. Bonds5

About 2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide

2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide (PubChem CID 60901239) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
PubChem CID60901239
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(O)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-13-11(16)7-14-6-10(15)8-3-2-4-9(12)5-8/h2-5,10,14-15H,6-7H2,1H3,(H,13,16)
InChIKeyCYXIRGVXRIGQQC-UHFFFAOYSA-N
XLogP0.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64911419
1-(3-bromophenyl)-2-(2-methylsulfonylethylamino)ethanol
CID 54935167
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901783
1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
CID 60733991
tert-butyl N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]carbamate
CID 99867079
1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 63490472
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butanamide
CID 115894656
N-[2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]cyclopropanecarboxamide
CID 115596586
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901417
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide (CID 60901239) is 2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide is CNC(=O)CNCC(O)c1cccc(Br)c1.
What is the InChIKey of 2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide?
The InChIKey is CYXIRGVXRIGQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-13-11(16)7-14-6-10(15)8-3-2-4-9(12)5-8/h2-5,10,14-15H,6-7H2,1H3,(H,13,16).
What are the key properties of 2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide?
2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide has a molecular weight of 287.16 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide is sourced from PubChem (CID 60901239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).