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

C18H22FN — CID 62515206

IUPAC2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(C)cc1)Cc1cccc(F)c1
InChIInChI=1S/C18H22FN/c1-14-6-8-15(9-7-14)10-17(13-20-2)11-16-4-3-5-18(19)12-16/h3-9,12,17,20H,10-11,13H2,1-2H3
InChIKeyUOSNYLYOXYEZMO-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.75
Rot. Bonds6

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

2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 62515206) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
PubChem CID62515206
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(C)cc1)Cc1cccc(F)c1
InChIInChI=1S/C18H22FN/c1-14-6-8-15(9-7-14)10-17(13-20-2)11-16-4-3-5-18(19)12-16/h3-9,12,17,20H,10-11,13H2,1-2H3
InChIKeyUOSNYLYOXYEZMO-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-4-methylbenzene
CID 66041066
2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105408067
2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
CID 83182297
2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105374875
2-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 114348807
3-[(3-fluorophenyl)methyl]-4-(methylamino)butanoic acid
CID 155217766
2-[(3-chloro-2-fluorophenyl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 102858686
2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 62516456
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 65097069
2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014372
4-tert-butylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 106729730

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine (CID 62515206) is 2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine is CNCC(Cc1ccc(C)cc1)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is UOSNYLYOXYEZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-14-6-8-15(9-7-14)10-17(13-20-2)11-16-4-3-5-18(19)12-16/h3-9,12,17,20H,10-11,13H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine?
2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 62515206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).