2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H16F3NO — CID 115258177

IUPAC2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1ccc(C(C)(C)CNCC(F)(F)F)o1
InChIInChI=1S/C11H16F3NO/c1-8-4-5-9(16-8)10(2,3)6-15-7-11(12,13)14/h4-5,15H,6-7H2,1-3H3
InChIKeyWKJJZAXPAWZYPS-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.02
Rot. Bonds4

About 2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 115258177) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID115258177
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1ccc(C(C)(C)CNCC(F)(F)F)o1
InChIInChI=1S/C11H16F3NO/c1-8-4-5-9(16-8)10(2,3)6-15-7-11(12,13)14/h4-5,15H,6-7H2,1-3H3
InChIKeyWKJJZAXPAWZYPS-UHFFFAOYSA-N
XLogP3.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Furanethylamine, N,N,5-trimethyl-, hydrochloride
CID 38132
Ammonium, (2-(5-methyl-2-furyl)ethyl)trimethyl-, iodide
CID 215972
N-Ethyl-N,N-dimethyl-2-(5-methylfuran-2-yl)ethan-1-aminium iodide
CID 217449
Cambridge id 5780707
CID 3692308
N-[2-(5-methylfuran-2-yl)ethyl]cyclopentanecarboxamide
CID 45817470
N-(2-fluoroethyl)-1-(furan-2-yl)propan-2-amine
CID 80695826
N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine
CID 83595177
N-[1-(5-tert-butyl-2-methylfuran-3-yl)ethyl]-3-ethyl-6-(2-fluoro-2-methylbutoxy)octa-3,5,7-trien-2-amine
CID 91159035
4,4-Difluoro-1-[3-(furan-2-yl)-2,3-dimethylbutan-2-yl]piperidine
CID 134250633
1-[1-(5-Tert-butylfuran-2-yl)-2-methylpropan-2-yl]-3-fluoroazetidine
CID 156169395
1-[1-(5-Tert-butyl-3-methylfuran-2-yl)-2-methylpropan-2-yl]-3,3-difluoroazetidine
CID 156169401
3-[4-methyl-5-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]furan-2-yl]azetidine
CID 171093195

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 115258177) is 2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is Cc1ccc(C(C)(C)CNCC(F)(F)F)o1.
What is the InChIKey of 2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is WKJJZAXPAWZYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-8-4-5-9(16-8)10(2,3)6-15-7-11(12,13)14/h4-5,15H,6-7H2,1-3H3.
What are the key properties of 2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 235.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 115258177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).