[4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine

C17H21N3O — CID 81296520

IUPAC[4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESCOc1ccc(CN)c(N2CCCC2c2ccncc2)c1
InChIInChI=1S/C17H21N3O/c1-21-15-5-4-14(12-18)17(11-15)20-10-2-3-16(20)13-6-8-19-9-7-13/h4-9,11,16H,2-3,10,12,18H2,1H3
InChIKeyHAZLVIDROMVQKR-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.89
Rot. Bonds4

About [4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine

[4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 81296520) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID81296520
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESCOc1ccc(CN)c(N2CCCC2c2ccncc2)c1
InChIInChI=1S/C17H21N3O/c1-21-15-5-4-14(12-18)17(11-15)20-10-2-3-16(20)13-6-8-19-9-7-13/h4-9,11,16H,2-3,10,12,18H2,1H3
InChIKeyHAZLVIDROMVQKR-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 62308633
[2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine
CID 81298987
[5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 62492795
[4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine
CID 62308459
1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide
CID 81299079
[2-chloro-6-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 62500745
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-methoxyphenyl]methanamine
CID 81299811
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methoxyphenyl]methanamine
CID 81299524
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
[4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine
CID 81296527
4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 30747502

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine (CID 81296520) is [4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine is COc1ccc(CN)c(N2CCCC2c2ccncc2)c1.
What is the InChIKey of [4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is HAZLVIDROMVQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-15-5-4-14(12-18)17(11-15)20-10-2-3-16(20)13-6-8-19-9-7-13/h4-9,11,16H,2-3,10,12,18H2,1H3.
What are the key properties of [4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine?
[4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 283.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 81296520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).