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

C13H19BrN2O2 — CID 119582539

IUPACN-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
SMILESCC(CN)N(C)C(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-10(9-15)16(2)13(17)6-7-18-12-5-3-4-11(14)8-12/h3-5,8,10H,6-7,9,15H2,1-2H3
InChIKeyJNNAKUGCFKINJM-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.02
Rot. Bonds6

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

N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide (PubChem CID 119582539) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
PubChem CID119582539
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
SMILESCC(CN)N(C)C(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-10(9-15)16(2)13(17)6-7-18-12-5-3-4-11(14)8-12/h3-5,8,10H,6-7,9,15H2,1-2H3
InChIKeyJNNAKUGCFKINJM-UHFFFAOYSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119584143
N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119585043
2-[3-(3-bromophenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60832392
ethyl 2-[3-(3-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012247
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078
3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide
CID 55348926
3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381655
N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119586507
N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide
CID 119584005
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
CID 119582440

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide (CID 119582539) is N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide is CC(CN)N(C)C(=O)CCOc1cccc(Br)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide?
The InChIKey is JNNAKUGCFKINJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-10(9-15)16(2)13(17)6-7-18-12-5-3-4-11(14)8-12/h3-5,8,10H,6-7,9,15H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide?
N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide has a molecular weight of 315.21 g/mol, XLogP of 2.02, 6 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)-3-(3-bromophenoxy)-N-methylpropanamide is sourced from PubChem (CID 119582539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).