N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C15H23F3N2O — CID 62426825

IUPACN-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCc1oc(CNC(C)C)cc1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H23F3N2O/c1-10(2)19-7-14-6-12(11(3)21-14)8-20(13-4-5-13)9-15(16,17)18/h6,10,13,19H,4-5,7-9H2,1-3H3
InChIKeyFEIQYGGTXVMBEQ-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.61
Rot. Bonds7

About N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62426825) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62426825
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCc1oc(CNC(C)C)cc1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H23F3N2O/c1-10(2)19-7-14-6-12(11(3)21-14)8-20(13-4-5-13)9-15(16,17)18/h6,10,13,19H,4-5,7-9H2,1-3H3
InChIKeyFEIQYGGTXVMBEQ-UHFFFAOYSA-N
XLogP3.61
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine with MolForge

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Related Compounds

N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62417062
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]oxan-4-amine
CID 62431851
N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 55069990
N-(3-methylbutyl)-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclopropanamine
CID 78990082
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62426990
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412465
N-[[4-[[cyclopropyl(propyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421982
2-methyl-N-[[5-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62427794
N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine
CID 63727556
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexan-1-amine
CID 62463291
N-[[5-methyl-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62420025

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62426825) is N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is Cc1oc(CNC(C)C)cc1CN(CC(F)(F)F)C1CC1.
What is the InChIKey of N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is FEIQYGGTXVMBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-10(2)19-7-14-6-12(11(3)21-14)8-20(13-4-5-13)9-15(16,17)18/h6,10,13,19H,4-5,7-9H2,1-3H3.
What are the key properties of N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 304.36 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62426825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).