N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine

C19H23F3N2O — CID 165425998

IUPACN,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCN(C)CC1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1
InChIInChI=1S/C19H23F3N2O/c1-23(2)11-14-9-10-24(12-14)13-17-7-8-18(25-17)15-3-5-16(6-4-15)19(20,21)22/h3-8,14H,9-13H2,1-2H3
InChIKeyVPKIGGDWARLZCJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.35
Rot. Bonds5

About N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine

N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine (PubChem CID 165425998) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine
PubChem CID165425998
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC NameN,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCN(C)CC1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1
InChIInChI=1S/C19H23F3N2O/c1-23(2)11-14-9-10-24(12-14)13-17-7-8-18(25-17)15-3-5-16(6-4-15)19(20,21)22/h3-8,14H,9-13H2,1-2H3
InChIKeyVPKIGGDWARLZCJ-UHFFFAOYSA-N
XLogP4.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine (CID 165425998) is N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine is CN(C)CC1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1.
What is the InChIKey of N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is VPKIGGDWARLZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-23(2)11-14-9-10-24(12-14)13-17-7-8-18(25-17)15-3-5-16(6-4-15)19(20,21)22/h3-8,14H,9-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine?
N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 352.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 165425998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).