3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine

C14H22BrNO — CID 79829708

IUPAC3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C14H22BrNO/c1-10-8-13(17-5)11(9-12(10)15)14(2,3)6-7-16-4/h8-9,16H,6-7H2,1-5H3
InChIKeyILXYHWMGCHLDNV-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.65
Rot. Bonds5

About 3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine

3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine (PubChem CID 79829708) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine
PubChem CID79829708
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C14H22BrNO/c1-10-8-13(17-5)11(9-12(10)15)14(2,3)6-7-16-4/h8-9,16H,6-7H2,1-5H3
InChIKeyILXYHWMGCHLDNV-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2,5-dimethylphenyl)-N,3-dimethylbutan-1-amine
CID 79830227
3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79831012
3-(5-bromo-4-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103396922
3-(2-chloro-4,5-dimethylphenyl)-N,3-dimethylbutan-1-amine
CID 115485108
3-(4-bromo-5-methylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 102838797
5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65433204
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 94978960
3-(4,5-dimethoxy-2-methylphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79837037
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512918
4-(5-bromo-2-methoxy-4-methylphenyl)-N-tert-butyl-2,2-dimethylbutan-1-amine
CID 65433973

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine (CID 79829708) is 3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine is CNCCC(C)(C)c1cc(Br)c(C)cc1OC.
What is the InChIKey of 3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine?
The InChIKey is ILXYHWMGCHLDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-10-8-13(17-5)11(9-12(10)15)14(2,3)6-7-16-4/h8-9,16H,6-7H2,1-5H3.
What are the key properties of 3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine?
3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 79829708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).