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

C18H23N3O — CID 91647015

IUPAC2-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine
SMILESCOc1ncccc1NC1CCN(C(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
InChIKeyQOQVHAKZOIODLQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.34
Rot. Bonds5

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

2-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine (PubChem CID 91647015) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine
PubChem CID91647015
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine
SMILESCOc1ncccc1NC1CCN(C(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
InChIKeyQOQVHAKZOIODLQ-UHFFFAOYSA-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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Related Compounds

2-methoxy-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridin-3-amine
CID 100910403
N-cyclopentyl-2-methoxypyridin-3-amine
CID 43721756
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963
N-(2-methoxy-3-pyridinyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 53499094
1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 56827336
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine
CID 106871796
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98726631
6-chloro-4-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 100854268

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine?
The IUPAC name of 2-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine (CID 91647015) is 2-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine.
What is the SMILES notation for 2-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine?
The canonical SMILES for 2-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine is COc1ncccc1NC1CCN(C(C)c2ccccc2)C1.
What is the InChIKey of 2-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine?
The InChIKey is QOQVHAKZOIODLQ-UHFFFAOYSA-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.
What are the key properties of 2-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine?
2-methoxy-N-[1-(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-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine is sourced from PubChem (CID 91647015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).