1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine

C13H18BrNO2 — CID 65154803

IUPAC1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine
SMILESCOc1ccc(Br)cc1C(N)CC1CCCO1
InChIInChI=1S/C13H18BrNO2/c1-16-13-5-4-9(14)7-11(13)12(15)8-10-3-2-6-17-10/h4-5,7,10,12H,2-3,6,8,15H2,1H3
InChIKeyPHGYXPKRGJHNEJ-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.03
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine

1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine (PubChem CID 65154803) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine
PubChem CID65154803
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine
SMILESCOc1ccc(Br)cc1C(N)CC1CCCO1
InChIInChI=1S/C13H18BrNO2/c1-16-13-5-4-9(14)7-11(13)12(15)8-10-3-2-6-17-10/h4-5,7,10,12H,2-3,6,8,15H2,1H3
InChIKeyPHGYXPKRGJHNEJ-UHFFFAOYSA-N
XLogP3.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953943
1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine
CID 116935969
1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 65157940
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086
(1R)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171201592
(1S)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171221129
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43480086
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
1-(5-bromo-2-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115817102
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine (CID 65154803) is 1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine is COc1ccc(Br)cc1C(N)CC1CCCO1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is PHGYXPKRGJHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-16-13-5-4-9(14)7-11(13)12(15)8-10-3-2-6-17-10/h4-5,7,10,12H,2-3,6,8,15H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine?
1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 300.20 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65154803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).