1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine

C16H17F2N — CID 172876693

IUPAC1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(-c2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C16H17F2N/c1-10-6-13(7-11(2)14(10)9-19-3)12-4-5-15(17)16(18)8-12/h4-8,19H,9H2,1-3H3
InChIKeyMXETZECJQUNJIS-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.97
Rot. Bonds3

About 1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine

1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine (PubChem CID 172876693) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine
PubChem CID172876693
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(-c2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C16H17F2N/c1-10-6-13(7-11(2)14(10)9-19-3)12-4-5-15(17)16(18)8-12/h4-8,19H,9H2,1-3H3
InChIKeyMXETZECJQUNJIS-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride
CID 172876680
[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol
CID 172876855
1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine
CID 172876699
1-[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride
CID 172876636
1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine
CID 172876657
1-[3-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106886849
1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine
CID 79690156
[4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol
CID 172876857
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106887791
N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911620
N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61239496

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine (CID 172876693) is 1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine is CNCc1c(C)cc(-c2ccc(F)c(F)c2)cc1C.
What is the InChIKey of 1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine?
The InChIKey is MXETZECJQUNJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-10-6-13(7-11(2)14(10)9-19-3)12-4-5-15(17)16(18)8-12/h4-8,19H,9H2,1-3H3.
What are the key properties of 1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine?
1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine is sourced from PubChem (CID 172876693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).