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

C19H20F3N — CID 118729258

IUPAC(2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H20F3N/c1-23(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(10-13)19(20,21)22/h3-10,16,18H,11-12H2,1-2H3/t16-,18-/m1/s1
InChIKeyMSGVDWYIUWBRPF-SJLPKXTDSA-N
MW319.37 g/mol
LogP4.71
Rot. Bonds2

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

(2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 118729258) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is (2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID118729258
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name(2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H20F3N/c1-23(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(10-13)19(20,21)22/h3-10,16,18H,11-12H2,1-2H3/t16-,18-/m1/s1
InChIKeyMSGVDWYIUWBRPF-SJLPKXTDSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 118729258) is (2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is MSGVDWYIUWBRPF-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H20F3N/c1-23(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(10-13)19(20,21)22/h3-10,16,18H,11-12H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of (2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 319.37 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 118729258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).