4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide

C15H23BrN2O2 — CID 115962707

IUPAC4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide
SMILESCc1cc(Br)cc(CCN)c1OCCCC(=O)N(C)C
InChIInChI=1S/C15H23BrN2O2/c1-11-9-13(16)10-12(6-7-17)15(11)20-8-4-5-14(19)18(2)3/h9-10H,4-8,17H2,1-3H3
InChIKeyUMGOJRLWIYNUHQ-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.51
Rot. Bonds7

About 4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide

4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide (PubChem CID 115962707) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide
PubChem CID115962707
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide
SMILESCc1cc(Br)cc(CCN)c1OCCCC(=O)N(C)C
InChIInChI=1S/C15H23BrN2O2/c1-11-9-13(16)10-12(6-7-17)15(11)20-8-4-5-14(19)18(2)3/h9-10H,4-8,17H2,1-3H3
InChIKeyUMGOJRLWIYNUHQ-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide 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-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine
CID 112621515
2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112621624
3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide
CID 112619816
5-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]pentanenitrile
CID 112621576
2-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]ethanamine
CID 112621647
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-ethylacetamide
CID 112621650
4-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-methylbutanamide
CID 112619951
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]propanoic acid
CID 115962678
4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide
CID 55037346
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-pentan-3-ylacetamide
CID 115962726
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N,N-dimethylacetamide
CID 112620028
(E)-3-[5-bromo-2-[3-(dimethylamino)-3-oxopropoxy]-3-methylphenyl]prop-2-enoic acid
CID 115962441

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide?
The IUPAC name of 4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide (CID 115962707) is 4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide is Cc1cc(Br)cc(CCN)c1OCCCC(=O)N(C)C.
What is the InChIKey of 4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide?
The InChIKey is UMGOJRLWIYNUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-11-9-13(16)10-12(6-7-17)15(11)20-8-4-5-14(19)18(2)3/h9-10H,4-8,17H2,1-3H3.
What are the key properties of 4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide?
4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide has a molecular weight of 343.27 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide is sourced from PubChem (CID 115962707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).