3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide

C15H23BrN2O2 — CID 103917273

IUPAC3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-10(18-9-15(2,3)14(19)17-4)11-6-7-13(20-5)12(16)8-11/h6-8,10,18H,9H2,1-5H3,(H,17,19)
InChIKeyOTXRTJXEDAYCKN-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.88
Rot. Bonds6

About 3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide

3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide (PubChem CID 103917273) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
PubChem CID103917273
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-10(18-9-15(2,3)14(19)17-4)11-6-7-13(20-5)12(16)8-11/h6-8,10,18H,9H2,1-5H3,(H,17,19)
InChIKeyOTXRTJXEDAYCKN-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 81489289
3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 104536098
3-[1-(3,4-dichlorophenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 103822854
methyl 3-[1-(3,4-dimethoxyphenyl)ethylamino]-2,2-dimethylpropanoate
CID 79621340
3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824276
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
N,2,2-trimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917282
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide
CID 103529781
ethyl 4-[1-(3-bromo-4-methoxyphenyl)ethylamino]butanoate
CID 60697010
4-[1-(3-bromo-4-methoxyphenyl)ethylamino]butan-2-ol
CID 64912156
3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
CID 65036741

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide (CID 103917273) is 3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(C)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide?
The InChIKey is OTXRTJXEDAYCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10(18-9-15(2,3)14(19)17-4)11-6-7-13(20-5)12(16)8-11/h6-8,10,18H,9H2,1-5H3,(H,17,19).
What are the key properties of 3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide?
3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide has a molecular weight of 343.27 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103917273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).