N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine

C14H21F3N2O — CID 62426990

IUPACN-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCCN(Cc1cc(CNC2CC2)oc1C)CC(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-3-19(9-14(15,16)17)8-11-6-13(20-10(11)2)7-18-12-4-5-12/h6,12,18H,3-5,7-9H2,1-2H3
InChIKeyDNEMAGAXUUFVHK-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.22
Rot. Bonds7

About N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine

N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 62426990) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID62426990
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCCN(Cc1cc(CNC2CC2)oc1C)CC(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-3-19(9-14(15,16)17)8-11-6-13(20-10(11)2)7-18-12-4-5-12/h6,12,18H,3-5,7-9H2,1-2H3
InChIKeyDNEMAGAXUUFVHK-UHFFFAOYSA-N
XLogP3.22
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-(diethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62439401
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62419504
N-[[4-[[cyclopropyl(propyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421982
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423023
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline
CID 62435269
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274684
N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62442948
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,2-dimethyloxolan-3-amine
CID 82754162
N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62426825
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62434975
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 107402017

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine (CID 62426990) is N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine is CCN(Cc1cc(CNC2CC2)oc1C)CC(F)(F)F.
What is the InChIKey of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is DNEMAGAXUUFVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-3-19(9-14(15,16)17)8-11-6-13(20-10(11)2)7-18-12-4-5-12/h6,12,18H,3-5,7-9H2,1-2H3.
What are the key properties of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine has a molecular weight of 290.33 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62426990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).