1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine

C16H16Cl2FN — CID 105394689

IUPAC1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H16Cl2FN/c1-2-20-16(9-11-4-3-5-12(17)8-11)14-10-13(19)6-7-15(14)18/h3-8,10,16,20H,2,9H2,1H3
InChIKeyMHOYIDOVGXBFRF-UHFFFAOYSA-N
MW312.22 g/mol
LogP5.03
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine

1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine (PubChem CID 105394689) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
PubChem CID105394689
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H16Cl2FN/c1-2-20-16(9-11-4-3-5-12(17)8-11)14-10-13(19)6-7-15(14)18/h3-8,10,16,20H,2,9H2,1H3
InChIKeyMHOYIDOVGXBFRF-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 63412552
2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 63508626
1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63417255
1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63420154
2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63413364
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 105394780
2-(3-chlorophenyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 63412584
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782
1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 63414830

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine (CID 105394689) is 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine?
The InChIKey is MHOYIDOVGXBFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-2-20-16(9-11-4-3-5-12(17)8-11)14-10-13(19)6-7-15(14)18/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine?
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine has a molecular weight of 312.22 g/mol, XLogP of 5.03, 5 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)-2-(3-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105394689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).