1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine

C16H18FN — CID 55085138

IUPAC1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1cccc(C)c1C
InChIInChI=1S/C16H18FN/c1-11-6-4-9-15(12(11)2)16(18-3)13-7-5-8-14(17)10-13/h4-10,16,18H,1-3H3
InChIKeyBOCPNEZLCQTLQE-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.75
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine

1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 55085138) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID55085138
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1cccc(C)c1C
InChIInChI=1S/C16H18FN/c1-11-6-4-9-15(12(11)2)16(18-3)13-7-5-8-14(17)10-13/h4-10,16,18H,1-3H3
InChIKeyBOCPNEZLCQTLQE-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-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-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 62548369
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
1-(2,3-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 115850509
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018436
1-(3-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482464
1-(2-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 62946377
1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791781
1-(3,4-diethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115482234
1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 62548873
1-(3,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850471
1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63081255

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine (CID 55085138) is 1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine is CNC(c1cccc(F)c1)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is BOCPNEZLCQTLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-6-4-9-15(12(11)2)16(18-3)13-7-5-8-14(17)10-13/h4-10,16,18H,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine has a molecular weight of 243.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 55085138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).