2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide

C14H19BrN2O2 — CID 8911502

IUPAC2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
SMILESCOc1ccc(CN(C)CC(=O)NC2CC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-17(9-14(18)16-11-4-5-11)8-10-3-6-13(19-2)12(15)7-10/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,16,18)
InChIKeyMLQNYVMGIFDZTB-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.17
Rot. Bonds6

About 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide

2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide (PubChem CID 8911502) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
PubChem CID8911502
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
SMILESCOc1ccc(CN(C)CC(=O)NC2CC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-17(9-14(18)16-11-4-5-11)8-10-3-6-13(19-2)12(15)7-10/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,16,18)
InChIKeyMLQNYVMGIFDZTB-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
2-[(3-bromo-4-fluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 54980387
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 60670069
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide
CID 27098608
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 33174885
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27097814
3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78977857
N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8909798
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871
N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224072

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide (CID 8911502) is 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide is COc1ccc(CN(C)CC(=O)NC2CC2)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is MLQNYVMGIFDZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-17(9-14(18)16-11-4-5-11)8-10-3-6-13(19-2)12(15)7-10/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide?
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 327.22 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 8911502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).