(3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine

C15H23FN2O — CID 144628995

IUPAC(3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCCc1cc(F)ccc1[C@@H]1CN(CCOC)C[C@H]1N
InChIInChI=1S/C15H23FN2O/c1-3-11-8-12(16)4-5-13(11)14-9-18(6-7-19-2)10-15(14)17/h4-5,8,14-15H,3,6-7,9-10,17H2,1-2H3/t14-,15+/m0/s1
InChIKeyHMRYCQGCIOTHHY-LSDHHAIUSA-N
MW266.36 g/mol
LogP1.76
Rot. Bonds5

About (3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine

(3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 144628995) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is (3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID144628995
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCCc1cc(F)ccc1[C@@H]1CN(CCOC)C[C@H]1N
InChIInChI=1S/C15H23FN2O/c1-3-11-8-12(16)4-5-13(11)14-9-18(6-7-19-2)10-15(14)17/h4-5,8,14-15H,3,6-7,9-10,17H2,1-2H3/t14-,15+/m0/s1
InChIKeyHMRYCQGCIOTHHY-LSDHHAIUSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine (CID 144628995) is (3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine is CCc1cc(F)ccc1[C@@H]1CN(CCOC)C[C@H]1N.
What is the InChIKey of (3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is HMRYCQGCIOTHHY-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-11-8-12(16)4-5-13(11)14-9-18(6-7-19-2)10-15(14)17/h4-5,8,14-15H,3,6-7,9-10,17H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
(3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 266.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(2-ethyl-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 144628995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).