2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide

C16H23BrN2O2 — CID 63062862

IUPAC2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide
SMILESCC(C)CNCc1ccc(OCC(=O)NC2CC2)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-11(2)8-18-9-12-3-6-15(14(17)7-12)21-10-16(20)19-13-4-5-13/h3,6-7,11,13,18H,4-5,8-10H2,1-2H3,(H,19,20)
InChIKeyWKSRKXFYCOGMER-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.85
Rot. Bonds8

About 2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide

2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide (PubChem CID 63062862) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide
PubChem CID63062862
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide
SMILESCC(C)CNCc1ccc(OCC(=O)NC2CC2)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-11(2)8-18-9-12-3-6-15(14(17)7-12)21-10-16(20)19-13-4-5-13/h3,6-7,11,13,18H,4-5,8-10H2,1-2H3,(H,19,20)
InChIKeyWKSRKXFYCOGMER-UHFFFAOYSA-N
XLogP2.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-propylacetamide
CID 63063547
N-[[3-bromo-4-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63062009
2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide
CID 19201484
2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
CID 893611
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78977857
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide
CID 63056850
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide
CID 55147518
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]acetonitrile
CID 55146625
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030131
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide
CID 43277622

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide (CID 63062862) is 2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide is CC(C)CNCc1ccc(OCC(=O)NC2CC2)c(Br)c1.
What is the InChIKey of 2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide?
The InChIKey is WKSRKXFYCOGMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-11(2)8-18-9-12-3-6-15(14(17)7-12)21-10-16(20)19-13-4-5-13/h3,6-7,11,13,18H,4-5,8-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide?
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide has a molecular weight of 355.28 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 63062862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).