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

C17H19F2N — CID 63673272

IUPAC1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2cc(F)ccc2F)cc1
InChIInChI=1S/C17H19F2N/c1-3-12-4-6-13(7-5-12)10-17(20-2)15-11-14(18)8-9-16(15)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyANRRDLULXBCHGM-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.03
Rot. Bonds5

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

1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine (PubChem CID 63673272) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine
PubChem CID63673272
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2cc(F)ccc2F)cc1
InChIInChI=1S/C17H19F2N/c1-3-12-4-6-13(7-5-12)10-17(20-2)15-11-14(18)8-9-16(15)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyANRRDLULXBCHGM-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 43482863
1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61063783
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
2-(3-bromo-4-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 63673603
1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064661
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 43482933
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine
CID 63084053
[2-(4-ethylphenyl)-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105211491
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 115983772
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
1-(2,5-difluorophenyl)-N,3-dimethylbut-3-en-1-amine
CID 79184848

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine (CID 63673272) is 1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine is CCc1ccc(CC(NC)c2cc(F)ccc2F)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine?
The InChIKey is ANRRDLULXBCHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-3-12-4-6-13(7-5-12)10-17(20-2)15-11-14(18)8-9-16(15)19/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine?
1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine has a molecular weight of 275.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 63673272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).