2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol

C15H23BrN2O2 — CID 63309734

IUPAC2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(CCOc2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2O2/c16-14-3-1-4-15(13-14)20-12-10-18-6-2-5-17(7-8-18)9-11-19/h1,3-4,13,19H,2,5-12H2
InChIKeyVLEIBRIWVVUFBV-UHFFFAOYSA-N
MW343.26 g/mol
LogP1.83
Rot. Bonds6

About 2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol

2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 63309734) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol
PubChem CID63309734
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(CCOc2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2O2/c16-14-3-1-4-15(13-14)20-12-10-18-6-2-5-17(7-8-18)9-11-19/h1,3-4,13,19H,2,5-12H2
InChIKeyVLEIBRIWVVUFBV-UHFFFAOYSA-N
XLogP1.83
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]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

1-[2-(3-bromophenoxy)ethyl]-4-(2-chloroethyl)-1,4-diazepane
CID 63387700
1-[2-(3-bromophenoxy)ethyl]piperidine;oxalic acid
CID 2924023
4-[2-(3-bromophenoxy)ethyl]-1,4-thiazepane
CID 54971594
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane
CID 63456840
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 43592078
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide
CID 9442914
1-[2-(3-bromophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440742
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
2-[2-(3-bromophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113336045
[4-[2-(3-bromophenoxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 78789266

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol (CID 63309734) is 2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol is OCCN1CCCN(CCOc2cccc(Br)c2)CC1.
What is the InChIKey of 2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is VLEIBRIWVVUFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c16-14-3-1-4-15(13-14)20-12-10-18-6-2-5-17(7-8-18)9-11-19/h1,3-4,13,19H,2,5-12H2.
What are the key properties of 2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 343.26 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 63309734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).