2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol

C10H12BrNO — CID 82130110

IUPAC2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
SMILESOC(CN1CC1)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO/c11-9-3-1-2-8(6-9)10(13)7-12-4-5-12/h1-3,6,10,13H,4-5,7H2
InChIKeyJWJXNYQNWXXPRN-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.80
Rot. Bonds3

About 2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol

2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol (PubChem CID 82130110) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
PubChem CID82130110
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
SMILESOC(CN1CC1)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO/c11-9-3-1-2-8(6-9)10(13)7-12-4-5-12/h1-3,6,10,13H,4-5,7H2
InChIKeyJWJXNYQNWXXPRN-UHFFFAOYSA-N
XLogP1.80
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 95344285
1-[4-[2-(3-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 110885594
1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 110898476
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol
CID 110885591
1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol
CID 111490042
(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 28746869
1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 55099473
1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol
CID 60969893
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
1-[2-(3-bromophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 111969248
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
1-(3-bromophenyl)butan-1-ol
CID 18417756

Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol?
The IUPAC name of 2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol (CID 82130110) is 2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol.
What is the SMILES notation for 2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol?
The canonical SMILES for 2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol is OC(CN1CC1)c1cccc(Br)c1.
What is the InChIKey of 2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol?
The InChIKey is JWJXNYQNWXXPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-9-3-1-2-8(6-9)10(13)7-12-4-5-12/h1-3,6,10,13H,4-5,7H2.
What are the key properties of 2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol?
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol has a molecular weight of 242.12 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol is sourced from PubChem (CID 82130110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).