2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine

C15H21ClFNO — CID 63936685

IUPAC2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)C1CCOCC1
InChIInChI=1S/C15H21ClFNO/c1-2-18-15(11-5-7-19-8-6-11)9-12-3-4-13(17)10-14(12)16/h3-4,10-11,15,18H,2,5-9H2,1H3
InChIKeyPJVLLOVTNPEUHJ-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.43
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine

2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine (PubChem CID 63936685) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
PubChem CID63936685
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)C1CCOCC1
InChIInChI=1S/C15H21ClFNO/c1-2-18-15(11-5-7-19-8-6-11)9-12-3-4-13(17)10-14(12)16/h3-4,10-11,15,18H,2,5-9H2,1H3
InChIKeyPJVLLOVTNPEUHJ-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503
N-[2-(2-chloro-5-fluorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 102618966
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65329971
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80626521
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine (CID 63936685) is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine is CCNC(Cc1ccc(F)cc1Cl)C1CCOCC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine?
The InChIKey is PJVLLOVTNPEUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-18-15(11-5-7-19-8-6-11)9-12-3-4-13(17)10-14(12)16/h3-4,10-11,15,18H,2,5-9H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine has a molecular weight of 285.79 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 63936685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).