2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine

C19H24FN — CID 62516825

IUPAC2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cc(C)ccc1C)Cc1ccccc1F
InChIInChI=1S/C19H24FN/c1-14-8-9-15(2)18(10-14)12-16(13-21-3)11-17-6-4-5-7-19(17)20/h4-10,16,21H,11-13H2,1-3H3
InChIKeyWNDIKGWAHGOHCQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.06
Rot. Bonds6

About 2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine

2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 62516825) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
PubChem CID62516825
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cc(C)ccc1C)Cc1ccccc1F
InChIInChI=1S/C19H24FN/c1-14-8-9-15(2)18(10-14)12-16(13-21-3)11-17-6-4-5-7-19(17)20/h4-10,16,21H,11-13H2,1-3H3
InChIKeyWNDIKGWAHGOHCQ-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine 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-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105206860
2-[(4-bromophenyl)methyl]-3-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 63523328
2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105374875
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43483828
2-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-N-methylpropan-1-amine
CID 63000314
2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62514397
2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene
CID 66040940
2-[(2-fluorophenyl)methyl]-N-methyl-5-phenylpentan-1-amine
CID 62514753
1-(2-fluorophenyl)-3-(methylamino)propan-2-ol
CID 64989565
2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine
CID 105374860
2-[(2-chlorophenyl)methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 114348813
2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 82139843

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine (CID 62516825) is 2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1cc(C)ccc1C)Cc1ccccc1F.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is WNDIKGWAHGOHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-14-8-9-15(2)18(10-14)12-16(13-21-3)11-17-6-4-5-7-19(17)20/h4-10,16,21H,11-13H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine?
2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 62516825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).