1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine

C18H19BrFN — CID 105044859

IUPAC1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C2CCC2)cc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C18H19BrFN/c1-21-18(15-9-10-16(19)17(20)11-15)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18,21H,2-4H2,1H3
InChIKeyUKUMDRCLWNHOQL-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.16
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine

1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine (PubChem CID 105044859) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine
PubChem CID105044859
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C2CCC2)cc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C18H19BrFN/c1-21-18(15-9-10-16(19)17(20)11-15)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18,21H,2-4H2,1H3
InChIKeyUKUMDRCLWNHOQL-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.26
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclobutylphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 116506024
1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 116506091
1-(4-bromo-3-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851527
[(4-bromo-3-fluorophenyl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 105342018
1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105045036
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115796591
1-bromo-4-cyclohexyl-2-fluorobenzene
CID 56992672
1-(3-bromo-4-ethoxyphenyl)-1-(4-bromo-3-fluorophenyl)-N-methylmethanamine
CID 104657518
[(2-bromo-6-fluorophenyl)-(4-cyclobutylphenyl)methyl]hydrazine
CID 105280506
1-(4-cyclobutylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105044965
1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033121
(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116505320

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine (CID 105044859) is 1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine is CNC(c1ccc(C2CCC2)cc1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine?
The InChIKey is UKUMDRCLWNHOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-21-18(15-9-10-16(19)17(20)11-15)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18,21H,2-4H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine?
1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine has a molecular weight of 348.26 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105044859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).