2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide

C15H23BrN2O2 — CID 60694299

IUPAC2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CCOc1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-4-18(5-2)15(19)12-17(3)9-10-20-14-8-6-7-13(16)11-14/h6-8,11H,4-5,9-10,12H2,1-3H3
InChIKeyOZNKOAYWEDMEKF-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.63
Rot. Bonds8

About 2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide

2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide (PubChem CID 60694299) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
PubChem CID60694299
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CCOc1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-4-18(5-2)15(19)12-17(3)9-10-20-14-8-6-7-13(16)11-14/h6-8,11H,4-5,9-10,12H2,1-3H3
InChIKeyOZNKOAYWEDMEKF-UHFFFAOYSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide 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

2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
ethyl 2-[3-(3-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012247
2-[2-(3-bromophenoxy)ethyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 60697432
2-[2-(3-bromophenoxy)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425881
3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide
CID 55348926
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60694428
1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
CID 55061080
2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252759
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60696515
methyl 4-[2-(3-bromophenoxy)ethyl-methylamino]butanoate
CID 62012123
ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate
CID 8792071

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide (CID 60694299) is 2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)CCOc1cccc(Br)c1.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide?
The InChIKey is OZNKOAYWEDMEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-18(5-2)15(19)12-17(3)9-10-20-14-8-6-7-13(16)11-14/h6-8,11H,4-5,9-10,12H2,1-3H3.
What are the key properties of 2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide?
2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide has a molecular weight of 343.26 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 60694299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).