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

C15H21ClFNO — CID 105032629

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCC1OC(C)C(C(N)Cc2cccc(F)c2Cl)C1C
InChIInChI=1S/C15H21ClFNO/c1-8-9(2)19-10(3)14(8)13(18)7-11-5-4-6-12(17)15(11)16/h4-6,8-10,13-14H,7,18H2,1-3H3
InChIKeyJKIVKTLEILMZBR-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.41
Rot. Bonds3

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

2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 105032629) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
PubChem CID105032629
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCC1OC(C)C(C(N)Cc2cccc(F)c2Cl)C1C
InChIInChI=1S/C15H21ClFNO/c1-8-9(2)19-10(3)14(8)13(18)7-11-5-4-6-12(17)15(11)16/h4-6,8-10,13-14H,7,18H2,1-3H3
InChIKeyJKIVKTLEILMZBR-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105032540
1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502
3-(2-chloro-3-fluorophenyl)-1,1-dimethoxypropan-2-amine
CID 112653856
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 112653482
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635
2-(2-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethanamine
CID 112653875
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 105032385
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 105032520
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112651923
1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 115983731

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 105032629) is 2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is CC1OC(C)C(C(N)Cc2cccc(F)c2Cl)C1C.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The InChIKey is JKIVKTLEILMZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-8-9(2)19-10(3)14(8)13(18)7-11-5-4-6-12(17)15(11)16/h4-6,8-10,13-14H,7,18H2,1-3H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 285.79 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105032629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).