2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine

C18H23N3O — CID 100910403

IUPAC2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine
SMILESCOc1ncccc1N[C@@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C18H23N3O/c1-14(15-7-4-3-5-8-15)21-12-10-16(13-21)20-17-9-6-11-19-18(17)22-2/h3-9,11,14,16,20H,10,12-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyQOQVHAKZOIODLQ-GOEBONIOSA-N
MW297.40 g/mol
LogP3.34
Rot. Bonds5

About 2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine

2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine (PubChem CID 100910403) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine
PubChem CID100910403
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine
SMILESCOc1ncccc1N[C@@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C18H23N3O/c1-14(15-7-4-3-5-8-15)21-12-10-16(13-21)20-17-9-6-11-19-18(17)22-2/h3-9,11,14,16,20H,10,12-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyQOQVHAKZOIODLQ-GOEBONIOSA-N
XLogP3.34
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine?
The IUPAC name of 2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine (CID 100910403) is 2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine.
What is the SMILES notation for 2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine?
The canonical SMILES for 2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine is COc1ncccc1N[C@@H]1CCN([C@@H](C)c2ccccc2)C1.
What is the InChIKey of 2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine?
The InChIKey is QOQVHAKZOIODLQ-GOEBONIOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(15-7-4-3-5-8-15)21-12-10-16(13-21)20-17-9-6-11-19-18(17)22-2/h3-9,11,14,16,20H,10,12-13H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of 2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine?
2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine has a molecular weight of 297.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine is sourced from PubChem (CID 100910403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).