2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide

C14H19BrN2O3 — CID 43622417

IUPAC2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(Br)cc(CNC2CC2)cc1OC
InChIInChI=1S/C14H19BrN2O3/c1-16-13(18)8-20-14-11(15)5-9(6-12(14)19-2)7-17-10-3-4-10/h5-6,10,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyMISQFKUPLNVMAR-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.83
Rot. Bonds7

About 2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide

2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide (PubChem CID 43622417) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
PubChem CID43622417
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(Br)cc(CNC2CC2)cc1OC
InChIInChI=1S/C14H19BrN2O3/c1-16-13(18)8-20-14-11(15)5-9(6-12(14)19-2)7-17-10-3-4-10/h5-6,10,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyMISQFKUPLNVMAR-UHFFFAOYSA-N
XLogP1.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide 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-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304
2-[2-bromo-4-[(tert-butylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
CID 63056313
2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 2236530
methyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743288
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 60958120
N-[[3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43622408
ethyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743418
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide
CID 43622324
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol
CID 107743238
4-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63891811
3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62627586

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide (CID 43622417) is 2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide is CNC(=O)COc1c(Br)cc(CNC2CC2)cc1OC.
What is the InChIKey of 2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide?
The InChIKey is MISQFKUPLNVMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-16-13(18)8-20-14-11(15)5-9(6-12(14)19-2)7-17-10-3-4-10/h5-6,10,17H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide?
2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide has a molecular weight of 343.22 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide is sourced from PubChem (CID 43622417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).