2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide

C13H19BrN2O2 — CID 55147518

IUPAC2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(CN)cc1Br
InChIInChI=1S/C13H19BrN2O2/c1-9(2)7-16-13(17)8-18-12-4-3-10(6-15)5-11(12)14/h3-5,9H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyAMRLTSMTBAKSKQ-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.06
Rot. Bonds6

About 2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide

2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 55147518) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide
PubChem CID55147518
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(CN)cc1Br
InChIInChI=1S/C13H19BrN2O2/c1-9(2)7-16-13(17)8-18-12-4-3-10(6-15)5-11(12)14/h3-5,9H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyAMRLTSMTBAKSKQ-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide
CID 63046001
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-propylacetamide
CID 63063547
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164493
4-bromo-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 114103812
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-(cyanomethyl)acetamide
CID 63050980
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 34650983
2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide
CID 113277203
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 43627207
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide
CID 63062862
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 45304092

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide (CID 55147518) is 2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1ccc(CN)cc1Br.
What is the InChIKey of 2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is AMRLTSMTBAKSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9(2)7-16-13(17)8-18-12-4-3-10(6-15)5-11(12)14/h3-5,9H,6-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide?
2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 315.21 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 55147518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).