2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine

C11H16BrNO — CID 20679125

IUPAC2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
SMILESCc1cc(Br)ccc1OCCN(C)C
InChIInChI=1S/C11H16BrNO/c1-9-8-10(12)4-5-11(9)14-7-6-13(2)3/h4-5,8H,6-7H2,1-3H3
InChIKeyVJYPNNLRRQJOMQ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.70
Rot. Bonds4

About 2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine

2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine (PubChem CID 20679125) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
PubChem CID20679125
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
SMILESCc1cc(Br)ccc1OCCN(C)C
InChIInChI=1S/C11H16BrNO/c1-9-8-10(12)4-5-11(9)14-7-6-13(2)3/h4-5,8H,6-7H2,1-3H3
InChIKeyVJYPNNLRRQJOMQ-UHFFFAOYSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63216698
(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
CID 63367823
5-bromo-2-[2-(dimethylamino)ethoxy]benzenecarbothioamide
CID 20992605
4-bromo-1-(6-chlorohexoxy)-2-methylbenzene
CID 63498941
4-bromo-2-methyl-1-(4-methylpentoxy)benzene
CID 83156668
1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidin-1-ium
CID 2296986
2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline
CID 63216601
N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 43277624
N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide
CID 90022792
2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane
CID 145332218
2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol
CID 39317876
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181239

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine (CID 20679125) is 2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine is Cc1cc(Br)ccc1OCCN(C)C.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine?
The InChIKey is VJYPNNLRRQJOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-9-8-10(12)4-5-11(9)14-7-6-13(2)3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine?
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine has a molecular weight of 258.16 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 20679125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).