2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine

C16H17ClFN — CID 82806145

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H17ClFN/c1-2-11-6-8-12(9-7-11)15(19)10-13-4-3-5-14(17)16(13)18/h3-9,15H,2,10,19H2,1H3
InChIKeyYQLMVYRWQFUBAT-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.28
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine (PubChem CID 82806145) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
PubChem CID82806145
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H17ClFN/c1-2-11-6-8-12(9-7-11)15(19)10-13-4-3-5-14(17)16(13)18/h3-9,15H,2,10,19H2,1H3
InChIKeyYQLMVYRWQFUBAT-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102857503
2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine
CID 82806691
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine
CID 63412435
2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine
CID 82787670
2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine
CID 116545044
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
CID 102867290
2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 82806473
2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 102867292
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
[2-(3-chloro-2-fluorophenyl)-1-(3-ethylphenyl)ethyl]hydrazine
CID 105264293
2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 102866349

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine (CID 82806145) is 2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(N)Cc2cccc(Cl)c2F)cc1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine?
The InChIKey is YQLMVYRWQFUBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-2-11-6-8-12(9-7-11)15(19)10-13-4-3-5-14(17)16(13)18/h3-9,15H,2,10,19H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 82806145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).