1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine

C11H16BrNO2 — CID 119098888

IUPAC1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1cc(Br)cc(OC)c1CN(C)C
InChIInChI=1S/C11H16BrNO2/c1-13(2)7-9-10(14-3)5-8(12)6-11(9)15-4/h5-6H,7H2,1-4H3
InChIKeyBALZLCCSDAXCSK-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.53
Rot. Bonds4

About 1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine

1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine (PubChem CID 119098888) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine
PubChem CID119098888
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1cc(Br)cc(OC)c1CN(C)C
InChIInChI=1S/C11H16BrNO2/c1-13(2)7-9-10(14-3)5-8(12)6-11(9)15-4/h5-6H,7H2,1-4H3
InChIKeyBALZLCCSDAXCSK-UHFFFAOYSA-N
XLogP2.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
CID 117219351
(4-bromo-2,6-dimethoxyphenyl)methanamine
CID 130139852
1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 13212596
5-bromo-1-chloro-2-ethyl-3-methoxybenzene
CID 84707034
(4-bromo-2-iodo-6-methoxyphenyl)methanamine
CID 171018102
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
2-[amino(methyl)amino]-5-bromo-3-methoxyaniline
CID 144867461
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
5-bromo-2-ethyl-1-methoxy-3-nitrobenzene
CID 158352726
N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine
CID 84807567
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-one
CID 117463007

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine (CID 119098888) is 1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine is COc1cc(Br)cc(OC)c1CN(C)C.
What is the InChIKey of 1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine?
The InChIKey is BALZLCCSDAXCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-13(2)7-9-10(14-3)5-8(12)6-11(9)15-4/h5-6H,7H2,1-4H3.
What are the key properties of 1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine?
1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 119098888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).