N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine

C15H22BrNO2 — CID 62719737

IUPACN-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCOc2ccc(Br)cc2)CCOC1
InChIInChI=1S/C15H22BrNO2/c1-2-17-11-15(7-9-18-12-15)8-10-19-14-5-3-13(16)4-6-14/h3-6,17H,2,7-12H2,1H3
InChIKeyIRRUPCDZVXUZDR-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.23
Rot. Bonds7

About N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine

N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 62719737) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine
PubChem CID62719737
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCOc2ccc(Br)cc2)CCOC1
InChIInChI=1S/C15H22BrNO2/c1-2-17-11-15(7-9-18-12-15)8-10-19-14-5-3-13(16)4-6-14/h3-6,17H,2,7-12H2,1H3
InChIKeyIRRUPCDZVXUZDR-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine
CID 62904851
N-methyl-1-[3-(2-phenoxyethyl)oxolan-3-yl]methanamine
CID 62717701
N-[[3-[(2-bromo-5-methoxyphenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 65326633
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]ethanamine
CID 66023995
N-[(3-decyloxolan-3-yl)methyl]ethanamine
CID 63502132
N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718677
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 66026893
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62720101
3-[2-(4-bromophenoxy)ethyl]oxolane-3-carbonitrile
CID 65393555
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63507679
[1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol
CID 113313278
N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
CID 55149572

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine (CID 62719737) is N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CCOc2ccc(Br)cc2)CCOC1.
What is the InChIKey of N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is IRRUPCDZVXUZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-2-17-11-15(7-9-18-12-15)8-10-19-14-5-3-13(16)4-6-14/h3-6,17H,2,7-12H2,1H3.
What are the key properties of N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 328.25 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62719737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).