N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide

C13H19BrN2O2 — CID 119583075

IUPACN-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(Br)cc1CC(=O)N(C)C(C)CN
InChIInChI=1S/C13H19BrN2O2/c1-9(8-15)16(2)13(17)7-10-6-11(14)4-5-12(10)18-3/h4-6,9H,7-8,15H2,1-3H3
InChIKeyGPVHNRSOXXKZGH-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.81
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide

N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide (PubChem CID 119583075) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide
PubChem CID119583075
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(Br)cc1CC(=O)N(C)C(C)CN
InChIInChI=1S/C13H19BrN2O2/c1-9(8-15)16(2)13(17)7-10-6-11(14)4-5-12(10)18-3/h4-6,9H,7-8,15H2,1-3H3
InChIKeyGPVHNRSOXXKZGH-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180644
N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide
CID 119583792
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
3-amino-1-(5-bromo-2-methoxyphenyl)pentan-2-one
CID 116584145
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267692
N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119582485
propan-2-yl 2-(5-bromo-2-methoxyphenyl)acetate
CID 82550039
3-N-[(5-bromo-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040347
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024442

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide (CID 119583075) is N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide is COc1ccc(Br)cc1CC(=O)N(C)C(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide?
The InChIKey is GPVHNRSOXXKZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9(8-15)16(2)13(17)7-10-6-11(14)4-5-12(10)18-3/h4-6,9H,7-8,15H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide?
N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide has a molecular weight of 315.21 g/mol, XLogP of 1.81, 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-(5-bromo-2-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 119583075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).