(2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine

C17H17F3N2 — CID 118694620

IUPAC(2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine
SMILESN[C@H]1CCc2cc(Nc3ccc(C(F)(F)F)cc3)ccc2C1
InChIInChI=1S/C17H17F3N2/c18-17(19,20)13-3-7-15(8-4-13)22-16-6-2-11-9-14(21)5-1-12(11)10-16/h2-4,6-8,10,14,22H,1,5,9,21H2/t14-/m0/s1
InChIKeyVUOAFDXLEKXYID-AWEZNQCLSA-N
MW306.33 g/mol
LogP4.26
Rot. Bonds2

About (2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine

(2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine (PubChem CID 118694620) has the molecular formula C17H17F3N2 and a molecular weight of 306.33 g/mol. Its IUPAC name is (2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine.

Molecular Properties

Compound Name(2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine
PubChem CID118694620
Molecular FormulaC17H17F3N2
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name(2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine
SMILESN[C@H]1CCc2cc(Nc3ccc(C(F)(F)F)cc3)ccc2C1
InChIInChI=1S/C17H17F3N2/c18-17(19,20)13-3-7-15(8-4-13)22-16-6-2-11-9-14(21)5-1-12(11)10-16/h2-4,6-8,10,14,22H,1,5,9,21H2/t14-/m0/s1
InChIKeyVUOAFDXLEKXYID-AWEZNQCLSA-N
XLogP4.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The IUPAC name of (2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine (CID 118694620) is (2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine.
What is the SMILES notation for (2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The canonical SMILES for (2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine is N[C@H]1CCc2cc(Nc3ccc(C(F)(F)F)cc3)ccc2C1.
What is the InChIKey of (2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The InChIKey is VUOAFDXLEKXYID-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17F3N2/c18-17(19,20)13-3-7-15(8-4-13)22-16-6-2-11-9-14(21)5-1-12(11)10-16/h2-4,6-8,10,14,22H,1,5,9,21H2/t14-/m0/s1.
What are the key properties of (2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
(2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine has a molecular weight of 306.33 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine is sourced from PubChem (CID 118694620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).