2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine

C14H20BrNO2 — CID 116764497

IUPAC2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2ccccc2Br)CCOCC1
InChIInChI=1S/C14H20BrNO2/c1-17-14(6-8-18-9-7-14)13(16)10-11-4-2-3-5-12(11)15/h2-5,13H,6-10,16H2,1H3
InChIKeyLJSIDMLRWYSLNI-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.51
Rot. Bonds4

About 2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine

2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine (PubChem CID 116764497) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
PubChem CID116764497
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2ccccc2Br)CCOCC1
InChIInChI=1S/C14H20BrNO2/c1-17-14(6-8-18-9-7-14)13(16)10-11-4-2-3-5-12(11)15/h2-5,13H,6-10,16H2,1H3
InChIKeyLJSIDMLRWYSLNI-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754158
2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764439
[2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276967
2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764303
2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764399
2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764410
2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764414
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828
2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762517
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066221
2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359
2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762549

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine (CID 116764497) is 2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine is COC1(C(N)Cc2ccccc2Br)CCOCC1.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
The InChIKey is LJSIDMLRWYSLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-17-14(6-8-18-9-7-14)13(16)10-11-4-2-3-5-12(11)15/h2-5,13H,6-10,16H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine?
2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine has a molecular weight of 314.22 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 116764497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).