4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline

C17H21N3O — CID 43575610

IUPAC4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
SMILESCOc1ccc(N)cc1CN1CCCC1c1ccncc1
InChIInChI=1S/C17H21N3O/c1-21-17-5-4-15(18)11-14(17)12-20-10-2-3-16(20)13-6-8-19-9-7-13/h4-9,11,16H,2-3,10,12,18H2,1H3
InChIKeyZCAAQZVDCYOAIV-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.01
Rot. Bonds4

About 4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline

4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline (PubChem CID 43575610) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
PubChem CID43575610
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
SMILESCOc1ccc(N)cc1CN1CCCC1c1ccncc1
InChIInChI=1S/C17H21N3O/c1-21-17-5-4-15(18)11-14(17)12-20-10-2-3-16(20)13-6-8-19-9-7-13/h4-9,11,16H,2-3,10,12,18H2,1H3
InChIKeyZCAAQZVDCYOAIV-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

2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
CID 43575611
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
4-methoxy-3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]aniline
CID 79941103
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916
(2S)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2-pyridin-4-ylazepane
CID 97252903
3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 43584169
4-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136860718
1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane
CID 112826237
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-3-methoxyaniline
CID 107208571

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline?
The IUPAC name of 4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline (CID 43575610) is 4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline is COc1ccc(N)cc1CN1CCCC1c1ccncc1.
What is the InChIKey of 4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline?
The InChIKey is ZCAAQZVDCYOAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-17-5-4-15(18)11-14(17)12-20-10-2-3-16(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-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline?
4-methoxy-3-[(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 4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline is sourced from PubChem (CID 43575610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).