(1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C19H20F3N — CID 56638875

IUPAC(1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(C)[C@@H]1CCC(c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C19H20F3N/c1-23(2)18-11-10-15(16-8-3-4-9-17(16)18)13-6-5-7-14(12-13)19(20,21)22/h3-9,12,15,18H,10-11H2,1-2H3/t15?,18-/m1/s1
InChIKeyMKSRSZKGUKRVLK-KPMSDPLLSA-N
MW319.37 g/mol
LogP5.23
Rot. Bonds2

About (1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 56638875) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID56638875
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name(1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(C)[C@@H]1CCC(c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C19H20F3N/c1-23(2)18-11-10-15(16-8-3-4-9-17(16)18)13-6-5-7-14(12-13)19(20,21)22/h3-9,12,15,18H,10-11H2,1-2H3/t15?,18-/m1/s1
InChIKeyMKSRSZKGUKRVLK-KPMSDPLLSA-N
XLogP5.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.37
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3033039
(1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 54587686
(2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118729258
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
(1S)-4-chloro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 175074556
N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine
CID 21760
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
2-N,2-N,1-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 172692197
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
(1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 134459131
cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367450

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 56638875) is (1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CN(C)[C@@H]1CCC(c2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of (1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MKSRSZKGUKRVLK-KPMSDPLLSA-N. The full InChI is InChI=1S/C19H20F3N/c1-23(2)18-11-10-15(16-8-3-4-9-17(16)18)13-6-5-7-14(12-13)19(20,21)22/h3-9,12,15,18H,10-11H2,1-2H3/t15?,18-/m1/s1.
What are the key properties of (1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 319.37 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 56638875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).