N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine

C15H22BrNO2 — CID 79364998

IUPACN-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1CCCOC1c1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrNO2/c1-3-17-10-11-5-4-8-19-15(11)13-9-12(16)6-7-14(13)18-2/h6-7,9,11,15,17H,3-5,8,10H2,1-2H3
InChIKeyUXLFCGQJODPSTA-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.53
Rot. Bonds5

About N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine

N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine (PubChem CID 79364998) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine
PubChem CID79364998
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1CCCOC1c1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrNO2/c1-3-17-10-11-5-4-8-19-15(11)13-9-12(16)6-7-14(13)18-2/h6-7,9,11,15,17H,3-5,8,10H2,1-2H3
InChIKeyUXLFCGQJODPSTA-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,5-dimethoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79365268
2-(5-bromo-2-methoxyphenyl)-3-(chloromethyl)oxane
CID 79373071
1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine
CID 79367671
N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 104819149
N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine
CID 79364725
N-[[2-(4-bromo-2-fluorophenyl)oxan-3-yl]methyl]propan-1-amine
CID 79365554
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017189
N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine
CID 79365813
N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine
CID 79365816
2-(5-bromo-2-methoxyphenyl)-1,3-dioxane
CID 14378759
N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365291
N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 62708175

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine (CID 79364998) is N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine is CCNCC1CCCOC1c1cc(Br)ccc1OC.
What is the InChIKey of N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine?
The InChIKey is UXLFCGQJODPSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-17-10-11-5-4-8-19-15(11)13-9-12(16)6-7-14(13)18-2/h6-7,9,11,15,17H,3-5,8,10H2,1-2H3.
What are the key properties of N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine?
N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine has a molecular weight of 328.25 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 79364998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).