1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine

C18H21F2N — CID 43480546

IUPAC1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1ccc(CC(C)C)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H21F2N/c1-12(2)10-13-4-6-14(7-5-13)18(21-3)15-8-9-16(19)17(20)11-15/h4-9,11-12,18,21H,10H2,1-3H3
InChIKeyWLCSXPVMBRYWDF-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.47
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine

1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine (PubChem CID 43480546) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
PubChem CID43480546
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1ccc(CC(C)C)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H21F2N/c1-12(2)10-13-4-6-14(7-5-13)18(21-3)15-8-9-16(19)17(20)11-15/h4-9,11-12,18,21H,10H2,1-3H3
InChIKeyWLCSXPVMBRYWDF-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butan-2-ylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43483063
1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484333
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
CID 79212501
1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480563
1-(3-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544023
1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484428
1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 81315749
1-(4-methoxyphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480574
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(5-fluoro-2-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 63509375
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine (CID 43480546) is 1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine is CNC(c1ccc(CC(C)C)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is WLCSXPVMBRYWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-12(2)10-13-4-6-14(7-5-13)18(21-3)15-8-9-16(19)17(20)11-15/h4-9,11-12,18,21H,10H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine has a molecular weight of 289.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 43480546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).