2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine

C14H20BrNO2 — CID 117499926

IUPAC2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine
SMILESCNCCc1ccc(OCC2(C)COC2)c(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-14(8-17-9-14)10-18-13-4-3-11(5-6-16-2)7-12(13)15/h3-4,7,16H,5-6,8-10H2,1-2H3
InChIKeySJUKXEJZELMVAO-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.63
Rot. Bonds6

About 2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine

2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine (PubChem CID 117499926) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine
PubChem CID117499926
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine
SMILESCNCCc1ccc(OCC2(C)COC2)c(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-14(8-17-9-14)10-18-13-4-3-11(5-6-16-2)7-12(13)15/h3-4,7,16H,5-6,8-10H2,1-2H3
InChIKeySJUKXEJZELMVAO-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117455100
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine
CID 167731618
1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine
CID 65430834
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 63044978
2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine
CID 83900820
2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
CID 19201978
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine
CID 115146036
N'-[2-(3-bromo-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195398
2-bromo-1-ethoxy-4-pentylbenzene
CID 171368096
3-[[4-[1,1-bis[4-[(3-methyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-methyloxetane
CID 101196540
N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
CID 104662908

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine (CID 117499926) is 2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine is CNCCc1ccc(OCC2(C)COC2)c(Br)c1.
What is the InChIKey of 2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is SJUKXEJZELMVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-14(8-17-9-14)10-18-13-4-3-11(5-6-16-2)7-12(13)15/h3-4,7,16H,5-6,8-10H2,1-2H3.
What are the key properties of 2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine?
2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 314.22 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 117499926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).