3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine

C14H21FN2O — CID 145467311

IUPAC3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine
SMILESCOC(c1ccc(C2CCCN2)cc1)C(N)CF
InChIInChI=1S/C14H21FN2O/c1-18-14(12(16)9-15)11-6-4-10(5-7-11)13-3-2-8-17-13/h4-7,12-14,17H,2-3,8-9,16H2,1H3
InChIKeyVOMIJKPVSOVCNR-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.10
Rot. Bonds5

About 3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine

3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine (PubChem CID 145467311) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine
PubChem CID145467311
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine
SMILESCOC(c1ccc(C2CCCN2)cc1)C(N)CF
InChIInChI=1S/C14H21FN2O/c1-18-14(12(16)9-15)11-6-4-10(5-7-11)13-3-2-8-17-13/h4-7,12-14,17H,2-3,8-9,16H2,1H3
InChIKeyVOMIJKPVSOVCNR-UHFFFAOYSA-N
XLogP2.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine?
The IUPAC name of 3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine (CID 145467311) is 3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine?
The canonical SMILES for 3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine is COC(c1ccc(C2CCCN2)cc1)C(N)CF.
What is the InChIKey of 3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine?
The InChIKey is VOMIJKPVSOVCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-18-14(12(16)9-15)11-6-4-10(5-7-11)13-3-2-8-17-13/h4-7,12-14,17H,2-3,8-9,16H2,1H3.
What are the key properties of 3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine?
3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine has a molecular weight of 252.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methoxy-1-(4-pyrrolidin-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 145467311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).