N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine

C14H19F3N2O — CID 114490715

IUPACN-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine
SMILESCNCc1cc(CN2CC=C(C(F)(F)F)CC2)c(C)o1
InChIInChI=1S/C14H19F3N2O/c1-10-11(7-13(20-10)8-18-2)9-19-5-3-12(4-6-19)14(15,16)17/h3,7,18H,4-6,8-9H2,1-2H3
InChIKeyRXZHVWSXAHVMCQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.00
Rot. Bonds4

About N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine

N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine (PubChem CID 114490715) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine
PubChem CID114490715
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine
SMILESCNCc1cc(CN2CC=C(C(F)(F)F)CC2)c(C)o1
InChIInChI=1S/C14H19F3N2O/c1-10-11(7-13(20-10)8-18-2)9-19-5-3-12(4-6-19)14(15,16)17/h3,7,18H,4-6,8-9H2,1-2H3
InChIKeyRXZHVWSXAHVMCQ-UHFFFAOYSA-N
XLogP3.00
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
CID 62419048
N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114413222
N-methyl-1-[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62775548
1-[4-[(4-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62421339
1-[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 55215650
4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline
CID 114490097
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-methylfuran-2-yl]-N-methylmethanamine
CID 79946048
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
CID 114489683
N-methyl-1-[5-methyl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62425837
N-[[4-(azocan-1-ylmethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62417501
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557554
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62417631

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine (CID 114490715) is N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine is CNCc1cc(CN2CC=C(C(F)(F)F)CC2)c(C)o1.
What is the InChIKey of N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine?
The InChIKey is RXZHVWSXAHVMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10-11(7-13(20-10)8-18-2)9-19-5-3-12(4-6-19)14(15,16)17/h3,7,18H,4-6,8-9H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine?
N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine has a molecular weight of 288.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 114490715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).