N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine

C16H24BrNO2 — CID 62110909

IUPACN-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCC1CCOC1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-12(2)18-9-16(14-4-3-5-15(17)8-14)20-11-13-6-7-19-10-13/h3-5,8,12-13,16,18H,6-7,9-11H2,1-2H3
InChIKeyQQLNNURZTKBDJF-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.54
Rot. Bonds7

About N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine

N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine (PubChem CID 62110909) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine
PubChem CID62110909
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCC1CCOC1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-12(2)18-9-16(14-4-3-5-15(17)8-14)20-11-13-6-7-19-10-13/h3-5,8,12-13,16,18H,6-7,9-11H2,1-2H3
InChIKeyQQLNNURZTKBDJF-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 55036296
N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine
CID 62383877
N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 62111410
N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
CID 62108746
N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 62106084
1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine
CID 113424548
N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine
CID 63556687
2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323008
N-[[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 61390366
N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine
CID 62111242
N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine
CID 79442605
3-[[1-(2-bromophenyl)-2-iodoethoxy]methyl]oxolane
CID 114773806

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine (CID 62110909) is N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine is CC(C)NCC(OCC1CCOC1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine?
The InChIKey is QQLNNURZTKBDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-12(2)18-9-16(14-4-3-5-15(17)8-14)20-11-13-6-7-19-10-13/h3-5,8,12-13,16,18H,6-7,9-11H2,1-2H3.
What are the key properties of N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine?
N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine has a molecular weight of 342.28 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62110909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).