[5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine

C14H13F3N2 — CID 102755639

IUPAC[5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1-c1cncc(CN)c1
InChIInChI=1S/C14H13F3N2/c1-9-4-12(14(15,16)17)2-3-13(9)11-5-10(6-18)7-19-8-11/h2-5,7-8H,6,18H2,1H3
InChIKeyIBMVKCYDKPNCFK-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.53
Rot. Bonds2

About [5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine

[5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine (PubChem CID 102755639) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is [5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
PubChem CID102755639
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name[5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1-c1cncc(CN)c1
InChIInChI=1S/C14H13F3N2/c1-9-4-12(14(15,16)17)2-3-13(9)11-5-10(6-18)7-19-8-11/h2-5,7-8H,6,18H2,1H3
InChIKeyIBMVKCYDKPNCFK-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine?
The IUPAC name of [5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine (CID 102755639) is [5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine?
The canonical SMILES for [5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine is Cc1cc(C(F)(F)F)ccc1-c1cncc(CN)c1.
What is the InChIKey of [5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine?
The InChIKey is IBMVKCYDKPNCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-9-4-12(14(15,16)17)2-3-13(9)11-5-10(6-18)7-19-8-11/h2-5,7-8H,6,18H2,1H3.
What are the key properties of [5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine?
[5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine has a molecular weight of 266.27 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 102755639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).