N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine

C17H17ClF3N3 — CID 170331408

IUPACN-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
SMILESCNC(c1ccc(N[C@H]2Cc3ccc(Cl)cc3C2)cn1)C(F)(F)F
InChIInChI=1S/C17H17ClF3N3/c1-22-16(17(19,20)21)15-5-4-13(9-23-15)24-14-7-10-2-3-12(18)6-11(10)8-14/h2-6,9,14,16,22,24H,7-8H2,1H3/t14-,16?/m0/s1
InChIKeyMHYCVSDSBGGNEA-LBAUFKAWSA-N
MW355.79 g/mol
LogP4.14
Rot. Bonds4

About N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine

N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine (PubChem CID 170331408) has the molecular formula C17H17ClF3N3 and a molecular weight of 355.79 g/mol. Its IUPAC name is N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
PubChem CID170331408
Molecular FormulaC17H17ClF3N3
Molecular Weight355.79 g/mol
Exact Mass355.11
IUPAC NameN-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
SMILESCNC(c1ccc(N[C@H]2Cc3ccc(Cl)cc3C2)cn1)C(F)(F)F
InChIInChI=1S/C17H17ClF3N3/c1-22-16(17(19,20)21)15-5-4-13(9-23-15)24-14-7-10-2-3-12(18)6-11(10)8-14/h2-6,9,14,16,22,24H,7-8H2,1H3/t14-,16?/m0/s1
InChIKeyMHYCVSDSBGGNEA-LBAUFKAWSA-N
XLogP4.14
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine?
The IUPAC name of N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine (CID 170331408) is N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine.
What is the SMILES notation for N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine?
The canonical SMILES for N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine is CNC(c1ccc(N[C@H]2Cc3ccc(Cl)cc3C2)cn1)C(F)(F)F.
What is the InChIKey of N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine?
The InChIKey is MHYCVSDSBGGNEA-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H17ClF3N3/c1-22-16(17(19,20)21)15-5-4-13(9-23-15)24-14-7-10-2-3-12(18)6-11(10)8-14/h2-6,9,14,16,22,24H,7-8H2,1H3/t14-,16?/m0/s1.
What are the key properties of N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine?
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine has a molecular weight of 355.79 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine is sourced from PubChem (CID 170331408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).