2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline

C14H22BrNO — CID 103033502

IUPAC2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline
SMILESCOC(C)(C)CCNc1c(C)cc(C)cc1Br
InChIInChI=1S/C14H22BrNO/c1-10-8-11(2)13(12(15)9-10)16-7-6-14(3,4)17-5/h8-9,16H,6-7H2,1-5H3
InChIKeyZAXSAQPOADILSA-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.29
Rot. Bonds5

About 2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline

2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline (PubChem CID 103033502) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline.

Molecular Properties

Compound Name2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline
PubChem CID103033502
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline
SMILESCOC(C)(C)CCNc1c(C)cc(C)cc1Br
InChIInChI=1S/C14H22BrNO/c1-10-8-11(2)13(12(15)9-10)16-7-6-14(3,4)17-5/h8-9,16H,6-7H2,1-5H3
InChIKeyZAXSAQPOADILSA-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline
CID 102975622
2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline
CID 104562698
N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline
CID 63448276
2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline
CID 28991485
3-[(2-bromo-4,6-dimethylanilino)methyl]pentan-3-ol
CID 114493437
4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol
CID 103028364
2-bromo-N-[(4-bromothiophen-3-yl)methyl]-4,6-dimethylaniline
CID 112739667
2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975625
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031551
2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline
CID 82892931
2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline
CID 63421879
4-methoxy-N-(3-methoxy-3-methylbutyl)-2-methylaniline
CID 102975776

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline?
The IUPAC name of 2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline (CID 103033502) is 2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline.
What is the SMILES notation for 2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline?
The canonical SMILES for 2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline is COC(C)(C)CCNc1c(C)cc(C)cc1Br.
What is the InChIKey of 2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline?
The InChIKey is ZAXSAQPOADILSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-10-8-11(2)13(12(15)9-10)16-7-6-14(3,4)17-5/h8-9,16H,6-7H2,1-5H3.
What are the key properties of 2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline?
2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline has a molecular weight of 300.24 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline is sourced from PubChem (CID 103033502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).