4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine

C19H24F3NO — CID 2867758

IUPAC4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
SMILESCc1ccc(C(C)(C)CC(C)NCc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C19H24F3NO/c1-13(11-18(3,4)17-10-5-14(2)24-17)23-12-15-6-8-16(9-7-15)19(20,21)22/h5-10,13,23H,11-12H2,1-4H3
InChIKeySXFQQSCMSZCOGL-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.45
Rot. Bonds6

About 4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine

4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine (PubChem CID 2867758) has the molecular formula C19H24F3NO and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
PubChem CID2867758
Molecular FormulaC19H24F3NO
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
SMILESCc1ccc(C(C)(C)CC(C)NCc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C19H24F3NO/c1-13(11-18(3,4)17-10-5-14(2)24-17)23-12-15-6-8-16(9-7-15)19(20,21)22/h5-10,13,23H,11-12H2,1-4H3
InChIKeySXFQQSCMSZCOGL-UHFFFAOYSA-N
XLogP5.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
The IUPAC name of 4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine (CID 2867758) is 4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
The canonical SMILES for 4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine is Cc1ccc(C(C)(C)CC(C)NCc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
The InChIKey is SXFQQSCMSZCOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO/c1-13(11-18(3,4)17-10-5-14(2)24-17)23-12-15-6-8-16(9-7-15)19(20,21)22/h5-10,13,23H,11-12H2,1-4H3.
What are the key properties of 4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine has a molecular weight of 339.40 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(5-methylfuran-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine is sourced from PubChem (CID 2867758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).