2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine

C14H21FN2O2 — CID 103540653

IUPAC2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine
SMILESCOC1CN(c2ccc(CCN)cc2F)CC1OC
InChIInChI=1S/C14H21FN2O2/c1-18-13-8-17(9-14(13)19-2)12-4-3-10(5-6-16)7-11(12)15/h3-4,7,13-14H,5-6,8-9,16H2,1-2H3
InChIKeyKPANXYDKDDOEBN-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.18
Rot. Bonds5

About 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine

2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine (PubChem CID 103540653) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine
PubChem CID103540653
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine
SMILESCOC1CN(c2ccc(CCN)cc2F)CC1OC
InChIInChI=1S/C14H21FN2O2/c1-18-13-8-17(9-14(13)19-2)12-4-3-10(5-6-16)7-11(12)15/h3-4,7,13-14H,5-6,8-9,16H2,1-2H3
InChIKeyKPANXYDKDDOEBN-UHFFFAOYSA-N
XLogP1.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine (CID 103540653) is 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine is COC1CN(c2ccc(CCN)cc2F)CC1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine?
The InChIKey is KPANXYDKDDOEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-18-13-8-17(9-14(13)19-2)12-4-3-10(5-6-16)7-11(12)15/h3-4,7,13-14H,5-6,8-9,16H2,1-2H3.
What are the key properties of 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine?
2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine has a molecular weight of 268.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 103540653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).