(1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

C16H17F3N2 — CID 97314250

IUPAC(1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESC[C@@H](c1ccccn1)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2/c1-12(15-5-3-4-10-20-15)21(2)11-13-6-8-14(9-7-13)16(17,18)19/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyDFNXLZMWDLHDNP-LBPRGKRZSA-N
MW294.32 g/mol
LogP4.29
Rot. Bonds4

About (1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

(1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 97314250) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is (1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID97314250
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name(1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESC[C@@H](c1ccccn1)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2/c1-12(15-5-3-4-10-20-15)21(2)11-13-6-8-14(9-7-13)16(17,18)19/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyDFNXLZMWDLHDNP-LBPRGKRZSA-N
XLogP4.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of (1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 97314250) is (1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for (1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is C[C@@H](c1ccccn1)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is DFNXLZMWDLHDNP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-12(15-5-3-4-10-20-15)21(2)11-13-6-8-14(9-7-13)16(17,18)19/h3-10,12H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
(1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 294.32 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 97314250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).