N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride

C13H20BrClN2O2 — CID 119583700

IUPACN-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride
SMILESCC(Oc1ccccc1Br)C(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C13H19BrN2O2.ClH/c1-9(8-15)16(3)13(17)10(2)18-12-7-5-4-6-11(12)14;/h4-7,9-10H,8,15H2,1-3H3;1H
InChIKeyOOAAWCLYKWZCRD-UHFFFAOYSA-N
MW351.67 g/mol
LogP2.44
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride

N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride (PubChem CID 119583700) has the molecular formula C13H20BrClN2O2 and a molecular weight of 351.67 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride
PubChem CID119583700
Molecular FormulaC13H20BrClN2O2
Molecular Weight351.67 g/mol
Exact Mass350.04
IUPAC NameN-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride
SMILESCC(Oc1ccccc1Br)C(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C13H19BrN2O2.ClH/c1-9(8-15)16(3)13(17)10(2)18-12-7-5-4-6-11(12)14;/h4-7,9-10H,8,15H2,1-3H3;1H
InChIKeyOOAAWCLYKWZCRD-UHFFFAOYSA-N
XLogP2.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.67
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119584143
N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide
CID 119584955
N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide
CID 119584005
2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695569
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 119584481
N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride
CID 119384173
2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid
CID 119205657
2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride
CID 119581712
4-(2-bromophenoxy)pentan-2-one
CID 64698957
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
N-(1-aminopropan-2-yl)-N-methyl-2-(2-propan-2-yloxyphenyl)acetamide
CID 119582125
2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119502634

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride (CID 119583700) is N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride is CC(Oc1ccccc1Br)C(=O)N(C)C(C)CN.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride?
The InChIKey is OOAAWCLYKWZCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2.ClH/c1-9(8-15)16(3)13(17)10(2)18-12-7-5-4-6-11(12)14;/h4-7,9-10H,8,15H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride has a molecular weight of 351.67 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119583700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).