1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine

C15H22F2N2O2 — CID 103539184

IUPAC1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
SMILESCOC1CN(CCC(N)c2cc(F)cc(F)c2)CC1OC
InChIInChI=1S/C15H22F2N2O2/c1-20-14-8-19(9-15(14)21-2)4-3-13(18)10-5-11(16)7-12(17)6-10/h5-7,13-15H,3-4,8-9,18H2,1-2H3
InChIKeyXTFGMAHWCUSSIQ-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.70
Rot. Bonds6

About 1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine

1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine (PubChem CID 103539184) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
PubChem CID103539184
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
SMILESCOC1CN(CCC(N)c2cc(F)cc(F)c2)CC1OC
InChIInChI=1S/C15H22F2N2O2/c1-20-14-8-19(9-15(14)21-2)4-3-13(18)10-5-11(16)7-12(17)6-10/h5-7,13-15H,3-4,8-9,18H2,1-2H3
InChIKeyXTFGMAHWCUSSIQ-UHFFFAOYSA-N
XLogP1.70
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine (CID 103539184) is 1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine is COC1CN(CCC(N)c2cc(F)cc(F)c2)CC1OC.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine?
The InChIKey is XTFGMAHWCUSSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-20-14-8-19(9-15(14)21-2)4-3-13(18)10-5-11(16)7-12(17)6-10/h5-7,13-15H,3-4,8-9,18H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine?
1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine has a molecular weight of 300.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 103539184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).