(1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

C21H20F3N — CID 72708652

IUPAC(1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N/c1-15(19-9-5-7-17-6-3-4-8-20(17)19)25(2)14-16-10-12-18(13-11-16)21(22,23)24/h3-13,15H,14H2,1-2H3/t15-/m1/s1
InChIKeyPUCAQGJLEXFMNI-OAHLLOKOSA-N
MW343.39 g/mol
LogP6.05
Rot. Bonds4

About (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

(1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 72708652) has the molecular formula C21H20F3N and a molecular weight of 343.39 g/mol. Its IUPAC name is (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID72708652
Molecular FormulaC21H20F3N
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name(1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N/c1-15(19-9-5-7-17-6-3-4-8-20(17)19)25(2)14-16-10-12-18(13-11-16)21(22,23)24/h3-13,15H,14H2,1-2H3/t15-/m1/s1
InChIKeyPUCAQGJLEXFMNI-OAHLLOKOSA-N
XLogP6.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.39
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 156419
Terbinafine
CID 1549008
Butenafine
CID 2484
Naftifine
CID 47641
Cinacalcet Hydrochloride
CID 156418
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
9,10-Anthracenedimethanamine, N,N'-bis(2-(dimethylamino)ethyl)-
CID 60242

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 72708652) is (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is PUCAQGJLEXFMNI-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20F3N/c1-15(19-9-5-7-17-6-3-4-8-20(17)19)25(2)14-16-10-12-18(13-11-16)21(22,23)24/h3-13,15H,14H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
(1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 343.39 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 72708652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).