2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

C15H22BrNO — CID 65155737

IUPAC2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCC1OC(C)C(C(N)Cc2ccc(Br)cc2)C1C
InChIInChI=1S/C15H22BrNO/c1-9-10(2)18-11(3)15(9)14(17)8-12-4-6-13(16)7-5-12/h4-7,9-11,14-15H,8,17H2,1-3H3
InChIKeyACYAKKGSAVSHST-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.38
Rot. Bonds3

About 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 65155737) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
PubChem CID65155737
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCC1OC(C)C(C(N)Cc2ccc(Br)cc2)C1C
InChIInChI=1S/C15H22BrNO/c1-9-10(2)18-11(3)15(9)14(17)8-12-4-6-13(16)7-5-12/h4-7,9-11,14-15H,8,17H2,1-3H3
InChIKeyACYAKKGSAVSHST-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155888
2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155838
3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane
CID 65159640
[2-(4-bromo-2-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105297482
2-methoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105008984
2-(4-bromophenyl)-1-(oxolan-3-yl)ethanamine
CID 61276449
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155889
(2S)-1-(4-bromophenyl)pentan-2-amine
CID 104932340
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105015421
2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine
CID 80622702
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 65155737) is 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is CC1OC(C)C(C(N)Cc2ccc(Br)cc2)C1C.
What is the InChIKey of 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The InChIKey is ACYAKKGSAVSHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-9-10(2)18-11(3)15(9)14(17)8-12-4-6-13(16)7-5-12/h4-7,9-11,14-15H,8,17H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 312.25 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 65155737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).