1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine

C16H15Cl2F2N — CID 107884748

IUPAC1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C16H15Cl2F2N/c1-2-21-15(11-4-3-5-13(18)16(11)20)9-10-6-7-12(17)14(19)8-10/h3-8,15,21H,2,9H2,1H3
InChIKeyMVFGCAFVTVXAKA-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.16
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine

1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine (PubChem CID 107884748) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
PubChem CID107884748
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C16H15Cl2F2N/c1-2-21-15(11-4-3-5-13(18)16(11)20)9-10-6-7-12(17)14(19)8-10/h3-8,15,21H,2,9H2,1H3
InChIKeyMVFGCAFVTVXAKA-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 64714865
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 107891773
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 115818794
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 107884660
1-(2-chlorophenyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62604347
1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63417255
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
1-(2,6-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63527991
2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 107892213
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 64714718

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine (CID 107884748) is 1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)c(F)c1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
The InChIKey is MVFGCAFVTVXAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-2-21-15(11-4-3-5-13(18)16(11)20)9-10-6-7-12(17)14(19)8-10/h3-8,15,21H,2,9H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine has a molecular weight of 330.21 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 107884748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).