1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine

C16H17ClFN — CID 105394112

IUPAC1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)(N)c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-3-11-4-6-12(7-5-11)16(2,19)14-10-13(18)8-9-15(14)17/h4-10H,3,19H2,1-2H3
InChIKeyLERGWKKNRAUPSN-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.26
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine

1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine (PubChem CID 105394112) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine
PubChem CID105394112
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)(N)c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-3-11-4-6-12(7-5-11)16(2,19)14-10-13(18)8-9-15(14)17/h4-10H,3,19H2,1-2H3
InChIKeyLERGWKKNRAUPSN-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol
CID 105393748
3-(2-chloro-5-fluorophenyl)pentan-3-amine
CID 105394104
2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine
CID 83835796
1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine
CID 55136169
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
1-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanamine
CID 62787808
2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine
CID 105396365
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 55186959
2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine
CID 105394111
1-(4-ethylphenyl)-1-(4-propylphenyl)ethanamine
CID 63408118
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 83686715
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 55120933

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine (CID 105394112) is 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(C)(N)c2cc(F)ccc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine?
The InChIKey is LERGWKKNRAUPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-3-11-4-6-12(7-5-11)16(2,19)14-10-13(18)8-9-15(14)17/h4-10H,3,19H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine?
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 105394112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).