2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline

C17H21N3O — CID 43575611

IUPAC2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
SMILESCOc1ccc(CN2CCCC2c2ccncc2)cc1N
InChIInChI=1S/C17H21N3O/c1-21-17-5-4-13(11-15(17)18)12-20-10-2-3-16(20)14-6-8-19-9-7-14/h4-9,11,16H,2-3,10,12,18H2,1H3
InChIKeyKHTISOGGTHIAET-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.01
Rot. Bonds4

About 2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline

2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline (PubChem CID 43575611) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
PubChem CID43575611
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
SMILESCOc1ccc(CN2CCCC2c2ccncc2)cc1N
InChIInChI=1S/C17H21N3O/c1-21-17-5-4-13(11-15(17)18)12-20-10-2-3-16(20)14-6-8-19-9-7-14/h4-9,11,16H,2-3,10,12,18H2,1H3
InChIKeyKHTISOGGTHIAET-UHFFFAOYSA-N
XLogP3.01
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
CID 43575610
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
(2S)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2-pyridin-4-ylazepane
CID 97252903
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
2-fluoro-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 122138422
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 77079933
2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 99932250
1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 87013517
[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777626
2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 134001112
3-[(2R)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 1353857

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline?
The IUPAC name of 2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline (CID 43575611) is 2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline is COc1ccc(CN2CCCC2c2ccncc2)cc1N.
What is the InChIKey of 2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline?
The InChIKey is KHTISOGGTHIAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-17-5-4-13(11-15(17)18)12-20-10-2-3-16(20)14-6-8-19-9-7-14/h4-9,11,16H,2-3,10,12,18H2,1H3.
What are the key properties of 2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline?
2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline has a molecular weight of 283.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline is sourced from PubChem (CID 43575611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).