1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine

C15H13F4N — CID 62802846

IUPAC1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F4N/c1-20-15(10-2-3-13(18)14(19)7-10)6-9-4-11(16)8-12(17)5-9/h2-5,7-8,15,20H,6H2,1H3
InChIKeyGMHLQRCGCZQSOU-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.75
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine

1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine (PubChem CID 62802846) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
PubChem CID62802846
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F4N/c1-20-15(10-2-3-13(18)14(19)7-10)6-9-4-11(16)8-12(17)5-9/h2-5,7-8,15,20H,6H2,1H3
InChIKeyGMHLQRCGCZQSOU-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine
CID 43484623
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107994476
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 105412582
1-(3,4-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43484603
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
2-chloro-1-(3,4-difluorophenyl)-N-methylethanamine
CID 116952603
2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61496504
2-(2-chloro-5-fluorophenyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 102618536
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 60818353

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine (CID 62802846) is 1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The InChIKey is GMHLQRCGCZQSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-20-15(10-2-3-13(18)14(19)7-10)6-9-4-11(16)8-12(17)5-9/h2-5,7-8,15,20H,6H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine has a molecular weight of 283.27 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 62802846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).