4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline

C14H22BrNO2 — CID 114228199

IUPAC4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NC(C)C(C)(C)OC
InChIInChI=1S/C14H22BrNO2/c1-9-7-11(15)8-12(17-5)13(9)16-10(2)14(3,4)18-6/h7-8,10,16H,1-6H3
InChIKeyCUNBAIDJXBYJII-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.99
Rot. Bonds5

About 4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline

4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline (PubChem CID 114228199) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline
PubChem CID114228199
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NC(C)C(C)(C)OC
InChIInChI=1S/C14H22BrNO2/c1-9-7-11(15)8-12(17-5)13(9)16-10(2)14(3,4)18-6/h7-8,10,16H,1-6H3
InChIKeyCUNBAIDJXBYJII-UHFFFAOYSA-N
XLogP3.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 63449951
4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline
CID 63449990
2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol
CID 60942739
4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 63450033
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline
CID 63752631
4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline
CID 54864197
3-(4-bromo-2,6-dimethylanilino)-2-methylbutan-2-ol
CID 65337462
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
CID 61147133
4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline
CID 63448717
4-bromo-2-methoxy-6-methyl-N-(3-methylsulfanylpropyl)aniline
CID 60943372
4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline
CID 55193869
N-(4-bromo-2-methoxy-6-methylphenyl)-2-chloroethanesulfonamide
CID 107651570

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline?
The IUPAC name of 4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline (CID 114228199) is 4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline.
What is the SMILES notation for 4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline?
The canonical SMILES for 4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline is COc1cc(Br)cc(C)c1NC(C)C(C)(C)OC.
What is the InChIKey of 4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline?
The InChIKey is CUNBAIDJXBYJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-9-7-11(15)8-12(17-5)13(9)16-10(2)14(3,4)18-6/h7-8,10,16H,1-6H3.
What are the key properties of 4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline?
4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline has a molecular weight of 316.24 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline is sourced from PubChem (CID 114228199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).