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

C15H13Cl2F2N — CID 107995020

IUPAC2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13Cl2F2N/c1-20-14(9-5-6-11(16)13(19)7-9)8-10-3-2-4-12(18)15(10)17/h2-7,14,20H,8H2,1H3
InChIKeyJVZOTPZDTIKLFQ-UHFFFAOYSA-N
MW316.18 g/mol
LogP4.77
Rot. Bonds4

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

2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine (PubChem CID 107995020) has the molecular formula C15H13Cl2F2N and a molecular weight of 316.18 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
PubChem CID107995020
Molecular FormulaC15H13Cl2F2N
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13Cl2F2N/c1-20-14(9-5-6-11(16)13(19)7-9)8-10-3-2-4-12(18)15(10)17/h2-7,14,20H,8H2,1H3
InChIKeyJVZOTPZDTIKLFQ-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)-N-methyl-1-phenylethanamine
CID 112653601
1-(4-chloro-3-fluorophenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107994783
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032572
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 102857521
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
[1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethyl]hydrazine
CID 107997442
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 115983761
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107995783
1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 63195375
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 115983772
1-(3,4-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43484603
1-(3-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857903

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine (CID 107995020) is 2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1Cl)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine?
The InChIKey is JVZOTPZDTIKLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2N/c1-20-14(9-5-6-11(16)13(19)7-9)8-10-3-2-4-12(18)15(10)17/h2-7,14,20H,8H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine?
2-(2-chloro-3-fluorophenyl)-1-(4-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 2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 107995020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).