2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine

C15H21BrFNO — CID 105015814

IUPAC2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)C1COC(C)C1
InChIInChI=1S/C15H21BrFNO/c1-3-18-15(12-4-10(2)19-9-12)7-11-5-13(16)8-14(17)6-11/h5-6,8,10,12,15,18H,3-4,7,9H2,1-2H3
InChIKeySWLHWLKQRIKRAY-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.53
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine

2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 105015814) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID105015814
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)C1COC(C)C1
InChIInChI=1S/C15H21BrFNO/c1-3-18-15(12-4-10(2)19-9-12)7-11-5-13(16)8-14(17)6-11/h5-6,8,10,12,15,18H,3-4,7,9H2,1-2H3
InChIKeySWLHWLKQRIKRAY-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 79709136
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 107892140
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 105015601
N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115864436
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115830037
N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine
CID 114825892
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962540
N-ethyl-1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethanamine
CID 114825860
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 106866403
2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105024778
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115842776
N-ethyl-2-(furan-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105029658

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine (CID 105015814) is 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine is CCNC(Cc1cc(F)cc(Br)c1)C1COC(C)C1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is SWLHWLKQRIKRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-3-18-15(12-4-10(2)19-9-12)7-11-5-13(16)8-14(17)6-11/h5-6,8,10,12,15,18H,3-4,7,9H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 330.24 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105015814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).