N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine

C16H24BrNO2 — CID 62718677

IUPACN-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCOc2cccc(Br)c2)CCOC1
InChIInChI=1S/C16H24BrNO2/c1-13(2)18-11-16(6-8-19-12-16)7-9-20-15-5-3-4-14(17)10-15/h3-5,10,13,18H,6-9,11-12H2,1-2H3
InChIKeyHONVSINYLUKOAJ-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.62
Rot. Bonds7

About N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine

N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62718677) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62718677
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCOc2cccc(Br)c2)CCOC1
InChIInChI=1S/C16H24BrNO2/c1-13(2)18-11-16(6-8-19-12-16)7-9-20-15-5-3-4-14(17)10-15/h3-5,10,13,18H,6-9,11-12H2,1-2H3
InChIKeyHONVSINYLUKOAJ-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-bromophenoxy)ethyl]-3-(chloromethyl)oxolane
CID 66033229
N-[[4-[(3-bromophenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62907138
N-methyl-1-[3-(2-phenoxyethyl)oxolan-3-yl]methanamine
CID 62717701
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 66026893
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine
CID 66025781
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55111579
N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 62719737
N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62718846
N-methyl-1-[3-(2-phenoxyethyl)oxan-3-yl]methanamine
CID 55151607
1-(3-bromophenoxy)-N-ethylhexan-3-amine
CID 54970645
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594249

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine (CID 62718677) is N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CCOc2cccc(Br)c2)CCOC1.
What is the InChIKey of N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is HONVSINYLUKOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-13(2)18-11-16(6-8-19-12-16)7-9-20-15-5-3-4-14(17)10-15/h3-5,10,13,18H,6-9,11-12H2,1-2H3.
What are the key properties of N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 342.28 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62718677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).