[5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine

C14H19F3N2O2 — CID 103530766

IUPAC[5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
SMILESCOC1CN(c2ccc(C(F)(F)F)c(CN)c2)CC1OC
InChIInChI=1S/C14H19F3N2O2/c1-20-12-7-19(8-13(12)21-2)10-3-4-11(14(15,16)17)9(5-10)6-18/h3-5,12-13H,6-8,18H2,1-2H3
InChIKeySCZYESABTPMKPP-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.01
Rot. Bonds4

About [5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine

[5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 103530766) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is [5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
PubChem CID103530766
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name[5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
SMILESCOC1CN(c2ccc(C(F)(F)F)c(CN)c2)CC1OC
InChIInChI=1S/C14H19F3N2O2/c1-20-12-7-19(8-13(12)21-2)10-3-4-11(14(15,16)17)9(5-10)6-18/h3-5,12-13H,6-8,18H2,1-2H3
InChIKeySCZYESABTPMKPP-UHFFFAOYSA-N
XLogP2.01
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine (CID 103530766) is [5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine is COC1CN(c2ccc(C(F)(F)F)c(CN)c2)CC1OC.
What is the InChIKey of [5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is SCZYESABTPMKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-20-12-7-19(8-13(12)21-2)10-3-4-11(14(15,16)17)9(5-10)6-18/h3-5,12-13H,6-8,18H2,1-2H3.
What are the key properties of [5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
[5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 304.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 103530766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).