N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine

C16H24BrNO2 — CID 62108052

IUPACN-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OC1CCOCC1)c1ccccc1Br
InChIInChI=1S/C16H24BrNO2/c1-12(2)18-11-16(14-5-3-4-6-15(14)17)20-13-7-9-19-10-8-13/h3-6,12-13,16,18H,7-11H2,1-2H3
InChIKeyFHROWPXKPKEEHT-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine

N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine (PubChem CID 62108052) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
PubChem CID62108052
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OC1CCOCC1)c1ccccc1Br
InChIInChI=1S/C16H24BrNO2/c1-12(2)18-11-16(14-5-3-4-6-15(14)17)20-13-7-9-19-10-8-13/h3-6,12-13,16,18H,7-11H2,1-2H3
InChIKeyFHROWPXKPKEEHT-UHFFFAOYSA-N
XLogP3.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
CID 62109896
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CID 62383669
N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine
CID 63474322
3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane
CID 114774100
N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]propan-2-amine
CID 102607723
4-[1-(2-bromophenyl)-2-(5-methyl-2,3-dihydrothiophen-1-ium-1-yl)ethoxy]oxane
CID 172821042
1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773973
N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63474611
N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
CID 62106804
N-methyl-2-(oxan-4-yloxy)-2-phenylethanamine
CID 62107330
4-[1-(2-bromophenyl)ethyl]oxane
CID 115050138
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine (CID 62108052) is N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine is CC(C)NCC(OC1CCOCC1)c1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine?
The InChIKey is FHROWPXKPKEEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-12(2)18-11-16(14-5-3-4-6-15(14)17)20-13-7-9-19-10-8-13/h3-6,12-13,16,18H,7-11H2,1-2H3.
What are the key properties of N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine?
N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine has a molecular weight of 342.28 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine is sourced from PubChem (CID 62108052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).