2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide

C14H21BrN2O3 — CID 43622324

IUPAC2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide
SMILESCCNCc1cc(Br)c(OCC(=O)NCC)c(OC)c1
InChIInChI=1S/C14H21BrN2O3/c1-4-16-8-10-6-11(15)14(12(7-10)19-3)20-9-13(18)17-5-2/h6-7,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyOGCDTMWDZYNMFD-UHFFFAOYSA-N
MW345.24 g/mol
LogP2.08
Rot. Bonds8

About 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide

2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide (PubChem CID 43622324) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide
PubChem CID43622324
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide
SMILESCCNCc1cc(Br)c(OCC(=O)NCC)c(OC)c1
InChIInChI=1S/C14H21BrN2O3/c1-4-16-8-10-6-11(15)14(12(7-10)19-3)20-9-13(18)17-5-2/h6-7,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyOGCDTMWDZYNMFD-UHFFFAOYSA-N
XLogP2.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 43622360
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
N-[[3-bromo-5-methoxy-4-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65365362
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304
N-butyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742106
2-[2-bromo-4-[(tert-butylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
CID 63056313
2-[4-[(benzylamino)methyl]-2-bromo-6-methoxyphenoxy]-N-tert-butylacetamide
CID 1017338
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine
CID 4716491
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 43622673
N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742179
N-[(3-bromo-4-but-3-ynoxy-5-methoxyphenyl)methyl]ethanamine
CID 55028387
2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17291007

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide?
The IUPAC name of 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide (CID 43622324) is 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide is CCNCc1cc(Br)c(OCC(=O)NCC)c(OC)c1.
What is the InChIKey of 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide?
The InChIKey is OGCDTMWDZYNMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-4-16-8-10-6-11(15)14(12(7-10)19-3)20-9-13(18)17-5-2/h6-7,16H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide?
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide has a molecular weight of 345.24 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide is sourced from PubChem (CID 43622324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).