N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride

C13H20BrClN2O2 — CID 119584143

IUPACN-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride
SMILESCC(Oc1cccc(Br)c1)C(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C13H19BrN2O2.ClH/c1-9(8-15)16(3)13(17)10(2)18-12-6-4-5-11(14)7-12;/h4-7,9-10H,8,15H2,1-3H3;1H
InChIKeyGIJPCDYJWLNXAY-UHFFFAOYSA-N
MW351.67 g/mol
LogP2.44
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride

N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride (PubChem CID 119584143) has the molecular formula C13H20BrClN2O2 and a molecular weight of 351.67 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride
PubChem CID119584143
Molecular FormulaC13H20BrClN2O2
Molecular Weight351.67 g/mol
Exact Mass350.04
IUPAC NameN-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride
SMILESCC(Oc1cccc(Br)c1)C(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C13H19BrN2O2.ClH/c1-9(8-15)16(3)13(17)10(2)18-12-6-4-5-11(14)7-12;/h4-7,9-10H,8,15H2,1-3H3;1H
InChIKeyGIJPCDYJWLNXAY-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-(4-bromophenoxy)-N-methylpropanamide
CID 119584955
2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride
CID 119581712
2-(3-bromophenoxy)-N,N-dimethylpropanamide
CID 43085551
N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
CID 119582539
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 119584481
N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119583700
N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 119584023
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenoxy)propanamide;hydrochloride
CID 119571125
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
(2R)-2-(3-chlorophenoxy)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylpropanamide
CID 96533228
(2R)-2-(3-bromophenoxy)-N-(2,6-diethylphenyl)propanamide
CID 1177372
2-(3-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532235

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride (CID 119584143) is N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride is CC(Oc1cccc(Br)c1)C(=O)N(C)C(C)CN.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride?
The InChIKey is GIJPCDYJWLNXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2.ClH/c1-9(8-15)16(3)13(17)10(2)18-12-6-4-5-11(14)7-12;/h4-7,9-10H,8,15H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-(3-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-(3-bromophenoxy)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119584143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).