1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine

C16H15Cl2F2N — CID 114855618

IUPAC1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccc(Cl)cc1F
InChIInChI=1S/C16H15Cl2F2N/c1-2-21-16(13-6-5-12(18)9-15(13)20)7-10-3-4-11(17)8-14(10)19/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyVHOABRLQOAGQHX-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.16
Rot. Bonds5

About 1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine

1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine (PubChem CID 114855618) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is 1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
PubChem CID114855618
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC Name1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccc(Cl)cc1F
InChIInChI=1S/C16H15Cl2F2N/c1-2-21-16(13-6-5-12(18)9-15(13)20)7-10-3-4-11(17)8-14(10)19/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyVHOABRLQOAGQHX-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

2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 114855582
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103048649
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 114857001
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408
2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105055513
1-(4-chloro-2-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61065176

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine (CID 114855618) is 1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)cc1F)c1ccc(Cl)cc1F.
What is the InChIKey of 1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine?
The InChIKey is VHOABRLQOAGQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-2-21-16(13-6-5-12(18)9-15(13)20)7-10-3-4-11(17)8-14(10)19/h3-6,8-9,16,21H,2,7H2,1H3.
What are the key properties of 1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine?
1,2-bis(4-chloro-2-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(4-chloro-2-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 114855618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).