1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine

C14H21FN2 — CID 170864539

IUPAC1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine
SMILESCc1cc(N2CCCC2)c(F)cc1CC(C)N
InChIInChI=1S/C14H21FN2/c1-10-7-14(17-5-3-4-6-17)13(15)9-12(10)8-11(2)16/h7,9,11H,3-6,8,16H2,1-2H3
InChIKeyWPCKETVWWNJPQV-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.62
Rot. Bonds3

About 1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine

1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine (PubChem CID 170864539) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine
PubChem CID170864539
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine
SMILESCc1cc(N2CCCC2)c(F)cc1CC(C)N
InChIInChI=1S/C14H21FN2/c1-10-7-14(17-5-3-4-6-17)13(15)9-12(10)8-11(2)16/h7,9,11H,3-6,8,16H2,1-2H3
InChIKeyWPCKETVWWNJPQV-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine (CID 170864539) is 1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine is Cc1cc(N2CCCC2)c(F)cc1CC(C)N.
What is the InChIKey of 1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine?
The InChIKey is WPCKETVWWNJPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-7-14(17-5-3-4-6-17)13(15)9-12(10)8-11(2)16/h7,9,11H,3-6,8,16H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine?
1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine has a molecular weight of 236.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine is sourced from PubChem (CID 170864539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).