1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine

C18H20FN — CID 116506604

IUPAC1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(C3CCC3)cc2)ccc1F
InChIInChI=1S/C18H20FN/c1-20-12-17-11-16(9-10-18(17)19)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,20H,2-4,12H2,1H3
InChIKeySXXBQIUXUKUKRJ-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.48
Rot. Bonds4

About 1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine

1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine (PubChem CID 116506604) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine
PubChem CID116506604
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(C3CCC3)cc2)ccc1F
InChIInChI=1S/C18H20FN/c1-20-12-17-11-16(9-10-18(17)19)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,20H,2-4,12H2,1H3
InChIKeySXXBQIUXUKUKRJ-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine
CID 116506606
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine
CID 116506610
1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
CID 54910232
1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine
CID 66259190
CID 19601961
CID 19601961
1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684
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-thiophen-2-ylphenyl)-N-methylmethanamine
CID 61104003
1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene
CID 166651083
2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene
CID 166999626

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine (CID 116506604) is 1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine is CNCc1cc(-c2ccc(C3CCC3)cc2)ccc1F.
What is the InChIKey of 1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine?
The InChIKey is SXXBQIUXUKUKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-20-12-17-11-16(9-10-18(17)19)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,20H,2-4,12H2,1H3.
What are the key properties of 1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine?
1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine has a molecular weight of 269.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 116506604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).