1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine

C16H18BrNO — CID 43282787

IUPAC1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1Oc1cccc(C)c1C
InChIInChI=1S/C16H18BrNO/c1-11-5-4-6-15(12(11)2)19-16-9-14(17)8-7-13(16)10-18-3/h4-9,18H,10H2,1-3H3
InChIKeyOAFMSSYALIETHO-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.58
Rot. Bonds4

About 1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine

1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 43282787) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine
PubChem CID43282787
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1Oc1cccc(C)c1C
InChIInChI=1S/C16H18BrNO/c1-11-5-4-6-15(12(11)2)19-16-9-14(17)8-7-13(16)10-18-3/h4-9,18H,10H2,1-3H3
InChIKeyOAFMSSYALIETHO-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(bromomethyl)phenoxy]-2,3-dimethylbenzene
CID 107086768
1-[4-bromo-2-(1,4-dimethylindol-5-yl)oxyphenyl]-N-methylmethanamine
CID 11559523
1-[4-bromo-2-(4-chloro-2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282565
1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine
CID 62336542
5-bromo-2-(2,3-dimethylphenoxy)aniline
CID 26190424
N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43282794
1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 102772902
1-[4-bromo-2-(3-methyl-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61031660
1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene
CID 107086769
1-[5-chloro-2-(2,3-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928078
1-[2-(5-bromo-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106485401
1-[2-(2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282630

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine (CID 43282787) is 1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine is CNCc1ccc(Br)cc1Oc1cccc(C)c1C.
What is the InChIKey of 1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is OAFMSSYALIETHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-5-4-6-15(12(11)2)19-16-9-14(17)8-7-13(16)10-18-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine?
1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 320.23 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43282787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).