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

C14H14ClF3N2 — CID 71144633

IUPAC[3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCc1cccnc1-c1cc(CN)ccc1C(F)(F)F.Cl
InChIInChI=1S/C14H13F3N2.ClH/c1-9-3-2-6-19-13(9)11-7-10(8-18)4-5-12(11)14(15,16)17;/h2-7H,8,18H2,1H3;1H
InChIKeyRTVQDOTZFMOBDU-UHFFFAOYSA-N
MW302.73 g/mol
LogP3.96
Rot. Bonds2

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

[3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 71144633) has the molecular formula C14H14ClF3N2 and a molecular weight of 302.73 g/mol. Its IUPAC name is [3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID71144633
Molecular FormulaC14H14ClF3N2
Molecular Weight302.73 g/mol
Exact Mass302.08
IUPAC Name[3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCc1cccnc1-c1cc(CN)ccc1C(F)(F)F.Cl
InChIInChI=1S/C14H13F3N2.ClH/c1-9-3-2-6-19-13(9)11-7-10(8-18)4-5-12(11)14(15,16)17;/h2-7H,8,18H2,1H3;1H
InChIKeyRTVQDOTZFMOBDU-UHFFFAOYSA-N
XLogP3.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 71144633) is [3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cc1cccnc1-c1cc(CN)ccc1C(F)(F)F.Cl.
What is the InChIKey of [3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is RTVQDOTZFMOBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2.ClH/c1-9-3-2-6-19-13(9)11-7-10(8-18)4-5-12(11)14(15,16)17;/h2-7H,8,18H2,1H3;1H.
What are the key properties of [3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
[3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 302.73 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 71144633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).