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

C21H20F3NO — CID 72708683

IUPAC(1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H20F3NO/c1-15(19-9-5-7-17-6-3-4-8-20(17)19)25(2)14-16-10-12-18(13-11-16)26-21(22,23)24/h3-13,15H,14H2,1-2H3/t15-/m1/s1
InChIKeyNPCGCCKRSLASPG-OAHLLOKOSA-N
MW359.39 g/mol
LogP5.93
Rot. Bonds5

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

(1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 72708683) has the molecular formula C21H20F3NO and a molecular weight of 359.39 g/mol. Its IUPAC name is (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID72708683
Molecular FormulaC21H20F3NO
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name(1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H20F3NO/c1-15(19-9-5-7-17-6-3-4-8-20(17)19)25(2)14-16-10-12-18(13-11-16)26-21(22,23)24/h3-13,15H,14H2,1-2H3/t15-/m1/s1
InChIKeyNPCGCCKRSLASPG-OAHLLOKOSA-N
XLogP5.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.39
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine
CID 72708650
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 89022612
N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 134793831
(1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride
CID 72708872
N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine
CID 22391172
N-methyl-N-(1-naphthalen-1-ylethyl)propan-2-amine
CID 22982648
N-methyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-N-(1-phenylethyl)acetamide
CID 55572578
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]butan-2-ol
CID 111488549
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
N-(2-methoxyphenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 46573624
2-[2-[benzyl(methyl)amino]propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111810310
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 112800999

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 72708683) is (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is NPCGCCKRSLASPG-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20F3NO/c1-15(19-9-5-7-17-6-3-4-8-20(17)19)25(2)14-16-10-12-18(13-11-16)26-21(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-(trifluoromethoxy)phenyl]methyl]ethanamine?
(1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 359.39 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 72708683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).