2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine

C19H24FN — CID 105374875

IUPAC2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(C)cc1)Cc1cc(F)ccc1C
InChIInChI=1S/C19H24FN/c1-14-4-7-16(8-5-14)10-17(13-21-3)11-18-12-19(20)9-6-15(18)2/h4-9,12,17,21H,10-11,13H2,1-3H3
InChIKeyMXBAZIIJSZSCMG-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.06
Rot. Bonds6

About 2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine

2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 105374875) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
PubChem CID105374875
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(C)cc1)Cc1cc(F)ccc1C
InChIInChI=1S/C19H24FN/c1-14-4-7-16(8-5-14)10-17(13-21-3)11-18-12-19(20)9-6-15(18)2/h4-9,12,17,21H,10-11,13H2,1-3H3
InChIKeyMXBAZIIJSZSCMG-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

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Related Compounds

2-[(2,5-difluorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62515213
2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 105374882
2-[(4-bromophenyl)methyl]-3-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 63523328
2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine
CID 105374860
2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 62515206
2-[(4-chlorophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516086
2-[(2-bromo-5-fluorophenyl)methyl]-3-(4-bromophenyl)-N-methylpropan-1-amine
CID 63521897
2-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 114348807
2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62516825
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660
2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65318235
2-[(5-bromo-2-fluorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62515735

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine (CID 105374875) is 2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine is CNCC(Cc1ccc(C)cc1)Cc1cc(F)ccc1C.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is MXBAZIIJSZSCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-14-4-7-16(8-5-14)10-17(13-21-3)11-18-12-19(20)9-6-15(18)2/h4-9,12,17,21H,10-11,13H2,1-3H3.
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine?
2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-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-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105374875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).