1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine

C16H26BrNO2 — CID 105056823

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C16H26BrNO2/c1-7-18-13(10-16(2,3)4)11-8-15(20-6)12(17)9-14(11)19-5/h8-9,13,18H,7,10H2,1-6H3
InChIKeyZNXUGLJNWLYMPI-UHFFFAOYSA-N
MW344.29 g/mol
LogP4.55
Rot. Bonds6

About 1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine

1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 105056823) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID105056823
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C16H26BrNO2/c1-7-18-13(10-16(2,3)4)11-8-15(20-6)12(17)9-14(11)19-5/h8-9,13,18H,7,10H2,1-6H3
InChIKeyZNXUGLJNWLYMPI-UHFFFAOYSA-N
XLogP4.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43493922
1-(4-bromo-2,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 105056855
1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 105056702
1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 43491693
1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 105056859
1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 105056755
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686
1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene
CID 105057365
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162910
1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 105139946
2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol
CID 112512368

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine (CID 105056823) is 1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1cc(OC)c(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is ZNXUGLJNWLYMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-7-18-13(10-16(2,3)4)11-8-15(20-6)12(17)9-14(11)19-5/h8-9,13,18H,7,10H2,1-6H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 344.29 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 105056823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).