1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine

C16H15Cl2F2N — CID 105032410

IUPAC1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)c1cccc(F)c1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-2-21-14(11-6-4-8-13(20)16(11)18)9-10-5-3-7-12(19)15(10)17/h3-8,14,21H,2,9H2,1H3
InChIKeyIVKVKRSTSOLUCF-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.16
Rot. Bonds5

About 1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine

1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine (PubChem CID 105032410) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is 1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
PubChem CID105032410
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC Name1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)c1cccc(F)c1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-2-21-14(11-6-4-8-13(20)16(11)18)9-10-5-3-7-12(19)15(10)17/h3-8,14,21H,2,9H2,1H3
InChIKeyIVKVKRSTSOLUCF-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-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
2-(2-chloro-3-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 105032455
1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 115983773
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 115983747
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790179
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032667
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878334
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032327

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine (CID 105032410) is 1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(F)c1Cl)c1cccc(F)c1Cl.
What is the InChIKey of 1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine?
The InChIKey is IVKVKRSTSOLUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-2-21-14(11-6-4-8-13(20)16(11)18)9-10-5-3-7-12(19)15(10)17/h3-8,14,21H,2,9H2,1H3.
What are the key properties of 1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine?
1,2-bis(2-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 1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105032410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).