(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride

C14H15ClF3NO — CID 135262977

IUPAC(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCc1ccc(C(N)c2ccc(C)o2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H14F3NO.ClH/c1-8-3-5-10(11(7-8)14(15,16)17)13(18)12-6-4-9(2)19-12;/h3-7,13H,18H2,1-2H3;1H
InChIKeyGXVZFLRKDUSJRR-UHFFFAOYSA-N
MW305.73 g/mol
LogP4.39
Rot. Bonds2

About (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride

(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 135262977) has the molecular formula C14H15ClF3NO and a molecular weight of 305.73 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID135262977
Molecular FormulaC14H15ClF3NO
Molecular Weight305.73 g/mol
Exact Mass305.08
IUPAC Name(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCc1ccc(C(N)c2ccc(C)o2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H14F3NO.ClH/c1-8-3-5-10(11(7-8)14(15,16)17)13(18)12-6-4-9(2)19-12;/h3-7,13H,18H2,1-2H3;1H
InChIKeyGXVZFLRKDUSJRR-UHFFFAOYSA-N
XLogP4.39
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 135262977) is (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cc1ccc(C(N)c2ccc(C)o2)c(C(F)(F)F)c1.Cl.
What is the InChIKey of (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is GXVZFLRKDUSJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO.ClH/c1-8-3-5-10(11(7-8)14(15,16)17)13(18)12-6-4-9(2)19-12;/h3-7,13H,18H2,1-2H3;1H.
What are the key properties of (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 305.73 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 135262977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).