(1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine

C18H21FN2 — CID 63368910

IUPAC(1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCC(c3ccccc3)C2)c(F)c1
InChIInChI=1S/C18H21FN2/c1-13(20)15-7-8-18(17(19)11-15)21-10-9-16(12-21)14-5-3-2-4-6-14/h2-8,11,13,16H,9-10,12,20H2,1H3/t13-,16?/m1/s1
InChIKeyKDRGPKIPWFVVAT-JBZHPUCOSA-N
MW284.38 g/mol
LogP3.84
Rot. Bonds3

About (1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine

(1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 63368910) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID63368910
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name(1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCC(c3ccccc3)C2)c(F)c1
InChIInChI=1S/C18H21FN2/c1-13(20)15-7-8-18(17(19)11-15)21-10-9-16(12-21)14-5-3-2-4-6-14/h2-8,11,13,16H,9-10,12,20H2,1H3/t13-,16?/m1/s1
InChIKeyKDRGPKIPWFVVAT-JBZHPUCOSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine (CID 63368910) is (1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine is C[C@@H](N)c1ccc(N2CCC(c3ccccc3)C2)c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is KDRGPKIPWFVVAT-JBZHPUCOSA-N. The full InChI is InChI=1S/C18H21FN2/c1-13(20)15-7-8-18(17(19)11-15)21-10-9-16(12-21)14-5-3-2-4-6-14/h2-8,11,13,16H,9-10,12,20H2,1H3/t13-,16?/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine?
(1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63368910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).