(1R)-N-methyl-1-naphthalen-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

C21H20F3N — CID 72708722

IUPAC(1R)-N-methyl-1-naphthalen-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N/c1-15(19-12-6-9-17-8-3-4-11-20(17)19)25(2)14-16-7-5-10-18(13-16)21(22,23)24/h3-13,15H,14H2,1-2H3/t15-/m1/s1
InChIKeyDJMYUOFZYJPRKK-OAHLLOKOSA-N
MW343.39 g/mol
LogP6.05
Rot. Bonds4

About (1R)-N-methyl-1-naphthalen-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

(1R)-N-methyl-1-naphthalen-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 72708722) 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-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-naphthalen-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID72708722
Molecular FormulaC21H20F3N
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name(1R)-N-methyl-1-naphthalen-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N/c1-15(19-12-6-9-17-8-3-4-11-20(17)19)25(2)14-16-7-5-10-18(13-16)21(22,23)24/h3-13,15H,14H2,1-2H3/t15-/m1/s1
InChIKeyDJMYUOFZYJPRKK-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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Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-naphthalen-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-N-methyl-1-naphthalen-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 72708722) is (1R)-N-methyl-1-naphthalen-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-N-methyl-1-naphthalen-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-N-methyl-1-naphthalen-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is C[C@H](c1cccc2ccccc12)N(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (1R)-N-methyl-1-naphthalen-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is DJMYUOFZYJPRKK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20F3N/c1-15(19-12-6-9-17-8-3-4-11-20(17)19)25(2)14-16-7-5-10-18(13-16)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-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
(1R)-N-methyl-1-naphthalen-1-yl-N-[[3-(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-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 72708722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).