2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine

C13H20BrNO2 — CID 117486828

IUPAC2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine
SMILESCNCCc1cc(OC(C)C)c(OC)cc1Br
InChIInChI=1S/C13H20BrNO2/c1-9(2)17-13-7-10(5-6-15-3)11(14)8-12(13)16-4/h7-9,15H,5-6H2,1-4H3
InChIKeyJNMVWNZTBVMXAO-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.01
Rot. Bonds6

About 2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine

2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine (PubChem CID 117486828) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine
PubChem CID117486828
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine
SMILESCNCCc1cc(OC(C)C)c(OC)cc1Br
InChIInChI=1S/C13H20BrNO2/c1-9(2)17-13-7-10(5-6-15-3)11(14)8-12(13)16-4/h7-9,15H,5-6H2,1-4H3
InChIKeyJNMVWNZTBVMXAO-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-2-(2-iodoethyl)-5-methoxy-4-propan-2-yloxybenzene
CID 16638804
(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine
CID 16637954
2-(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)acetonitrile
CID 84812805
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66535631
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]heptan-1-amine
CID 66535665
1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 117499584
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
(E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 26993496
1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine
CID 66533821
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 66535530
4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
CID 22439028
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2,4-dichloroaniline
CID 66542996

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine (CID 117486828) is 2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine is CNCCc1cc(OC(C)C)c(OC)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine?
The InChIKey is JNMVWNZTBVMXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-9(2)17-13-7-10(5-6-15-3)11(14)8-12(13)16-4/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine?
2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine has a molecular weight of 302.21 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine is sourced from PubChem (CID 117486828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).