(S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine

C14H13F3N2 — CID 71144422

IUPAC(S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cccnc1[C@@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2/c1-9-3-2-8-19-13(9)12(18)10-4-6-11(7-5-10)14(15,16)17/h2-8,12H,18H2,1H3/t12-/m0/s1
InChIKeyRSCISMJRKNBZKV-LBPRGKRZSA-N
MW266.27 g/mol
LogP3.46
Rot. Bonds2

About (S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine

(S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 71144422) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is (S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID71144422
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name(S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cccnc1[C@@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2/c1-9-3-2-8-19-13(9)12(18)10-4-6-11(7-5-10)14(15,16)17/h2-8,12H,18H2,1H3/t12-/m0/s1
InChIKeyRSCISMJRKNBZKV-LBPRGKRZSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine (CID 71144422) is (S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine is Cc1cccnc1[C@@H](N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RSCISMJRKNBZKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-9-3-2-8-19-13(9)12(18)10-4-6-11(7-5-10)14(15,16)17/h2-8,12H,18H2,1H3/t12-/m0/s1.
What are the key properties of (S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine?
(S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 266.27 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 71144422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).