1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine

C19H23F3N2O — CID 87736787

IUPAC1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
SMILESCCN1CCC(NCc2ccc(-c3cc(F)c(C)c(F)c3F)o2)CC1
InChIInChI=1S/C19H23F3N2O/c1-3-24-8-6-13(7-9-24)23-11-14-4-5-17(25-14)15-10-16(20)12(2)18(21)19(15)22/h4-5,10,13,23H,3,6-9,11H2,1-2H3
InChIKeySVCDIBWTDHNIIX-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.25
Rot. Bonds5

About 1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine

1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine (PubChem CID 87736787) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
PubChem CID87736787
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
SMILESCCN1CCC(NCc2ccc(-c3cc(F)c(C)c(F)c3F)o2)CC1
InChIInChI=1S/C19H23F3N2O/c1-3-24-8-6-13(7-9-24)23-11-14-4-5-17(25-14)15-10-16(20)12(2)18(21)19(15)22/h4-5,10,13,23H,3,6-9,11H2,1-2H3
InChIKeySVCDIBWTDHNIIX-UHFFFAOYSA-N
XLogP4.25
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
CID 58788218
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 107593425
1-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-amine
CID 60691616
N-[[5-(5-bromo-2-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624961
N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 115564773
1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
CID 17159428
1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 103943629
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
CID 4723489
N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624901
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 103784727
N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624931

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine (CID 87736787) is 1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine is CCN1CCC(NCc2ccc(-c3cc(F)c(C)c(F)c3F)o2)CC1.
What is the InChIKey of 1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine?
The InChIKey is SVCDIBWTDHNIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-3-24-8-6-13(7-9-24)23-11-14-4-5-17(25-14)15-10-16(20)12(2)18(21)19(15)22/h4-5,10,13,23H,3,6-9,11H2,1-2H3.
What are the key properties of 1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine?
1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine has a molecular weight of 352.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 87736787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).