N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine

C20H18F3N — CID 134792604

IUPACN-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCN(Cc1ccccc1C(F)(F)F)Cc1cccc2ccccc12
InChIInChI=1S/C20H18F3N/c1-24(14-17-8-3-5-12-19(17)20(21,22)23)13-16-10-6-9-15-7-2-4-11-18(15)16/h2-12H,13-14H2,1H3
InChIKeyHNNDHUTWUBGEQN-UHFFFAOYSA-N
MW329.37 g/mol
LogP5.49
Rot. Bonds4

About N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine

N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 134792604) has the molecular formula C20H18F3N and a molecular weight of 329.37 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID134792604
Molecular FormulaC20H18F3N
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCN(Cc1ccccc1C(F)(F)F)Cc1cccc2ccccc12
InChIInChI=1S/C20H18F3N/c1-24(14-17-8-3-5-12-19(17)20(21,22)23)13-16-10-6-9-15-7-2-4-11-18(15)16/h2-12H,13-14H2,1H3
InChIKeyHNNDHUTWUBGEQN-UHFFFAOYSA-N
XLogP5.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.37
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Terbinafine
CID 1549008
Butenafine
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Naftifine
CID 47641
Cinacalcet Hydrochloride
CID 156418
Terbinafine Hydrochloride
CID 5282481
Xaliproden
CID 128919
Butenafine Hydrochloride
CID 443867
Naftifine Hydrochloride
CID 5281098
Xaliproden Hydrochloride
CID 128918
Paliroden
CID 11567682
Dimethyldodecyl(1-naphthylmethyl)ammonium chloride
CID 61271

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine (CID 134792604) is N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine is CN(Cc1ccccc1C(F)(F)F)Cc1cccc2ccccc12.
What is the InChIKey of N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HNNDHUTWUBGEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N/c1-24(14-17-8-3-5-12-19(17)20(21,22)23)13-16-10-6-9-15-7-2-4-11-18(15)16/h2-12H,13-14H2,1H3.
What are the key properties of N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 329.37 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 134792604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).