(1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine

C14H21FN2O — CID 114058739

IUPAC(1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine
SMILESCOCC1CCN(c2c(F)cccc2[C@@H](C)N)C1
InChIInChI=1S/C14H21FN2O/c1-10(16)12-4-3-5-13(15)14(12)17-7-6-11(8-17)9-18-2/h3-5,10-11H,6-9,16H2,1-2H3/t10-,11?/m1/s1
InChIKeyNUZRRUVIYBQGMF-NFJWQWPMSA-N
MW252.33 g/mol
LogP2.32
Rot. Bonds4

About (1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine

(1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine (PubChem CID 114058739) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine
PubChem CID114058739
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine
SMILESCOCC1CCN(c2c(F)cccc2[C@@H](C)N)C1
InChIInChI=1S/C14H21FN2O/c1-10(16)12-4-3-5-13(15)14(12)17-7-6-11(8-17)9-18-2/h3-5,10-11H,6-9,16H2,1-2H3/t10-,11?/m1/s1
InChIKeyNUZRRUVIYBQGMF-NFJWQWPMSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine (CID 114058739) is (1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine is COCC1CCN(c2c(F)cccc2[C@@H](C)N)C1.
What is the InChIKey of (1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine?
The InChIKey is NUZRRUVIYBQGMF-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(16)12-4-3-5-13(15)14(12)17-7-6-11(8-17)9-18-2/h3-5,10-11H,6-9,16H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine?
(1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine has a molecular weight of 252.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 114058739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).