(2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine

C16H16F3N3 — CID 118694773

IUPAC(2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine
SMILESN[C@H]1CCc2cc(Nc3ccc(C(F)(F)F)cn3)ccc2C1
InChIInChI=1S/C16H16F3N3/c17-16(18,19)12-3-6-15(21-9-12)22-14-5-2-10-7-13(20)4-1-11(10)8-14/h2-3,5-6,8-9,13H,1,4,7,20H2,(H,21,22)/t13-/m0/s1
InChIKeyACQGYKQOEZHFIX-ZDUSSCGKSA-N
MW307.32 g/mol
LogP3.66
Rot. Bonds2

About (2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine

(2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine (PubChem CID 118694773) has the molecular formula C16H16F3N3 and a molecular weight of 307.32 g/mol. Its IUPAC name is (2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine.

Molecular Properties

Compound Name(2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine
PubChem CID118694773
Molecular FormulaC16H16F3N3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name(2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine
SMILESN[C@H]1CCc2cc(Nc3ccc(C(F)(F)F)cn3)ccc2C1
InChIInChI=1S/C16H16F3N3/c17-16(18,19)12-3-6-15(21-9-12)22-14-5-2-10-7-13(20)4-1-11(10)8-14/h2-3,5-6,8-9,13H,1,4,7,20H2,(H,21,22)/t13-/m0/s1
InChIKeyACQGYKQOEZHFIX-ZDUSSCGKSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The IUPAC name of (2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine (CID 118694773) is (2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine.
What is the SMILES notation for (2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The canonical SMILES for (2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine is N[C@H]1CCc2cc(Nc3ccc(C(F)(F)F)cn3)ccc2C1.
What is the InChIKey of (2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The InChIKey is ACQGYKQOEZHFIX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16F3N3/c17-16(18,19)12-3-6-15(21-9-12)22-14-5-2-10-7-13(20)4-1-11(10)8-14/h2-3,5-6,8-9,13H,1,4,7,20H2,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
(2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine has a molecular weight of 307.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine is sourced from PubChem (CID 118694773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).