2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide

C14H19BrN2O2 — CID 61390308

IUPAC2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
SMILESCNCc1cccc(Br)c1OCC(=O)NCC1CC1
InChIInChI=1S/C14H19BrN2O2/c1-16-8-11-3-2-4-12(15)14(11)19-9-13(18)17-7-10-5-6-10/h2-4,10,16H,5-9H2,1H3,(H,17,18)
InChIKeyPJOJIOLBFXHCGG-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.07
Rot. Bonds7

About 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide

2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide (PubChem CID 61390308) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
PubChem CID61390308
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
SMILESCNCc1cccc(Br)c1OCC(=O)NCC1CC1
InChIInChI=1S/C14H19BrN2O2/c1-16-8-11-3-2-4-12(15)14(11)19-9-13(18)17-7-10-5-6-10/h2-4,10,16H,5-9H2,1H3,(H,17,18)
InChIKeyPJOJIOLBFXHCGG-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 61390284
1-[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 61390168
1-[3-bromo-2-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66046621
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 112614976
1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 61390217
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 43277250
2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 55147795
N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 59724543
1-[3-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 103133008
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 61390112
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 112608234
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 60907032

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide (CID 61390308) is 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide is CNCc1cccc(Br)c1OCC(=O)NCC1CC1.
What is the InChIKey of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide?
The InChIKey is PJOJIOLBFXHCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-16-8-11-3-2-4-12(15)14(11)19-9-13(18)17-7-10-5-6-10/h2-4,10,16H,5-9H2,1H3,(H,17,18).
What are the key properties of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide?
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide has a molecular weight of 327.22 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 61390308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).