1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine

C9H11F2N — CID 79725175

IUPAC1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNCc1cc(C)c(F)cc1F
InChIInChI=1S/C9H11F2N/c1-6-3-7(5-12-2)9(11)4-8(6)10/h3-4,12H,5H2,1-2H3
InChIKeyBPILPWHRNGCHDN-UHFFFAOYSA-N
MW171.19 g/mol
LogP1.99
Rot. Bonds2

About 1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine

1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 79725175) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID79725175
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNCc1cc(C)c(F)cc1F
InChIInChI=1S/C9H11F2N/c1-6-3-7(5-12-2)9(11)4-8(6)10/h3-4,12H,5H2,1-2H3
InChIKeyBPILPWHRNGCHDN-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
CID 70310877
2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol
CID 84769618
2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol
CID 84769029
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine
CID 84765584
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-[2-(2,4-difluoro-5-methylphenyl)ethyl]-2,3,4-trifluoro-5-methylbenzene
CID 166874468
1,5-difluoro-2-methyl-4-(methylsulfonylmethyl)benzene
CID 131983850
1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 84654035
1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 107514112
1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503173
1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 84671954

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine (CID 79725175) is 1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine is CNCc1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is BPILPWHRNGCHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-6-3-7(5-12-2)9(11)4-8(6)10/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine?
1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine has a molecular weight of 171.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 79725175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).