(5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium

C16H26BrN2O2+ — CID 8794242

IUPAC(5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)NC(C)(C)C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C16H25BrN2O2/c1-6-19(11-15(20)18-16(2,3)4)10-12-9-13(17)7-8-14(12)21-5/h7-9H,6,10-11H2,1-5H3,(H,18,20)/p+1
InChIKeyXFJBLQITKIZQHF-UHFFFAOYSA-O
MW358.30 g/mol
LogP1.78
Rot. Bonds6

About (5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium

(5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium (PubChem CID 8794242) has the molecular formula C16H26BrN2O2+ and a molecular weight of 358.30 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
PubChem CID8794242
Molecular FormulaC16H26BrN2O2+
Molecular Weight358.30 g/mol
Exact Mass357.12
IUPAC Name(5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)NC(C)(C)C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C16H25BrN2O2/c1-6-19(11-15(20)18-16(2,3)4)10-12-9-13(17)7-8-14(12)21-5/h7-9H,6,10-11H2,1-5H3,(H,18,20)/p+1
InChIKeyXFJBLQITKIZQHF-UHFFFAOYSA-O
XLogP1.78
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 119187587
(5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium
CID 8810475
N-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 49172929
2-[(5-bromo-2-methoxyphenyl)methyl]-1-tert-butylguanidine
CID 111092778
(5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9103818
(5-bromo-2-methoxyphenyl)methyl-bis(2-chloroethyl)azanium chloride
CID 29155
[2-(tert-butylamino)-2-oxoethyl]-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylazanium
CID 8794302
2-[(5-bromo-2-methoxyphenyl)methyl]-1-tert-butyl-3-ethylguanidine
CID 110965724
(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
CID 6943942
2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119506812
(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9103940
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
The IUPAC name of (5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium (CID 8794242) is (5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for (5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)NC(C)(C)C)Cc1cc(Br)ccc1OC.
What is the InChIKey of (5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
The InChIKey is XFJBLQITKIZQHF-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25BrN2O2/c1-6-19(11-15(20)18-16(2,3)4)10-12-9-13(17)7-8-14(12)21-5/h7-9H,6,10-11H2,1-5H3,(H,18,20)/p+1.
What are the key properties of (5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
(5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium has a molecular weight of 358.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8794242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).