1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine

C19H24FN — CID 66259190

IUPAC1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine
SMILESCCC(C)(C)c1ccc(-c2ccc(F)c(CNC)c2)cc1
InChIInChI=1S/C19H24FN/c1-5-19(2,3)17-9-6-14(7-10-17)15-8-11-18(20)16(12-15)13-21-4/h6-12,21H,5,13H2,1-4H3
InChIKeyJOLFMHMNBAXASQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.90
Rot. Bonds5

About 1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine

1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine (PubChem CID 66259190) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine
PubChem CID66259190
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine
SMILESCCC(C)(C)c1ccc(-c2ccc(F)c(CNC)c2)cc1
InChIInChI=1S/C19H24FN/c1-5-19(2,3)17-9-6-14(7-10-17)15-8-11-18(20)16(12-15)13-21-4/h6-12,21H,5,13H2,1-4H3
InChIKeyJOLFMHMNBAXASQ-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine
CID 81440632
1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911708
1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 116506604
1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
CID 54910232
1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine
CID 61104003
1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
CID 61026213
1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 107514112
1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine
CID 82811445
1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684
1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene
CID 170009086
1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine
CID 82669041

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine (CID 66259190) is 1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine is CCC(C)(C)c1ccc(-c2ccc(F)c(CNC)c2)cc1.
What is the InChIKey of 1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine?
The InChIKey is JOLFMHMNBAXASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-5-19(2,3)17-9-6-14(7-10-17)15-8-11-18(20)16(12-15)13-21-4/h6-12,21H,5,13H2,1-4H3.
What are the key properties of 1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine?
1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine has a molecular weight of 285.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 66259190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).