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

C15H13Cl2F2N — CID 105032290

IUPAC1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1cccc(F)c1Cl
InChIInChI=1S/C15H13Cl2F2N/c1-20-13(10-5-3-7-12(19)15(10)17)8-9-4-2-6-11(18)14(9)16/h2-7,13,20H,8H2,1H3
InChIKeyBXZCDLZWFOBOFA-UHFFFAOYSA-N
MW316.18 g/mol
LogP4.77
Rot. Bonds4

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

1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine (PubChem CID 105032290) has the molecular formula C15H13Cl2F2N and a molecular weight of 316.18 g/mol. Its IUPAC name is 1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
PubChem CID105032290
Molecular FormulaC15H13Cl2F2N
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1cccc(F)c1Cl
InChIInChI=1S/C15H13Cl2F2N/c1-20-13(10-5-3-7-12(19)15(10)17)8-9-4-2-6-11(18)14(9)16/h2-7,13,20H,8H2,1H3
InChIKeyBXZCDLZWFOBOFA-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105032442
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
1-(2-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 107985356
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 115983761
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 114894692
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 115983772
1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809397
1-(2-bromo-5-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032368
2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
CID 112653601
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032435
2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 105178864

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine (CID 105032290) is 1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1Cl)c1cccc(F)c1Cl.
What is the InChIKey of 1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine?
The InChIKey is BXZCDLZWFOBOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2N/c1-20-13(10-5-3-7-12(19)15(10)17)8-9-4-2-6-11(18)14(9)16/h2-7,13,20H,8H2,1H3.
What are the key properties of 1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine?
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine has a molecular weight of 316.18 g/mol, XLogP of 4.77, 4 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-methylethanamine is sourced from PubChem (CID 105032290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).