1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine

C18H21F2N — CID 43484333

IUPAC1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H21F2N/c1-3-4-5-13-6-8-14(9-7-13)18(21-2)15-10-11-16(19)17(20)12-15/h6-12,18,21H,3-5H2,1-2H3
InChIKeyLQSUEHLIBMYWMH-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.62
Rot. Bonds6

About 1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine

1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine (PubChem CID 43484333) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
PubChem CID43484333
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H21F2N/c1-3-4-5-13-6-8-14(9-7-13)18(21-2)15-10-11-16(19)17(20)12-15/h6-12,18,21H,3-5H2,1-2H3
InChIKeyLQSUEHLIBMYWMH-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480546
1-(4-butan-2-ylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43483063
1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43484374
1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484428
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43491214
1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 43484310
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484899
1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43484298
1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151645
1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43805236
1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 81110681

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine (CID 43484333) is 1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine is CCCCc1ccc(C(NC)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine?
The InChIKey is LQSUEHLIBMYWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-4-5-13-6-8-14(9-7-13)18(21-2)15-10-11-16(19)17(20)12-15/h6-12,18,21H,3-5H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine?
1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43484333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).