N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine

C19H25N3O2 — CID 75471469

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
SMILESCOc1ccc(OC)c(C(C)NC2CCN(c3ccccn3)C2)c1
InChIInChI=1S/C19H25N3O2/c1-14(17-12-16(23-2)7-8-18(17)24-3)21-15-9-11-22(13-15)19-6-4-5-10-20-19/h4-8,10,12,14-15,21H,9,11,13H2,1-3H3
InChIKeyIILYXFMYLLJACX-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.03
Rot. Bonds6

About N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine (PubChem CID 75471469) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
PubChem CID75471469
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
SMILESCOc1ccc(OC)c(C(C)NC2CCN(c3ccccn3)C2)c1
InChIInChI=1S/C19H25N3O2/c1-14(17-12-16(23-2)7-8-18(17)24-3)21-15-9-11-22(13-15)19-6-4-5-10-20-19/h4-8,10,12,14-15,21H,9,11,13H2,1-3H3
InChIKeyIILYXFMYLLJACX-UHFFFAOYSA-N
XLogP3.03
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 75441632
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 119164773
2-(2,5-dimethoxyphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 78876192
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 97108049
4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621518
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
4-methoxy-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 75498023
(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine
CID 81393307
3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621475
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301022

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine (CID 75471469) is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine is COc1ccc(OC)c(C(C)NC2CCN(c3ccccn3)C2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine?
The InChIKey is IILYXFMYLLJACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(17-12-16(23-2)7-8-18(17)24-3)21-15-9-11-22(13-15)19-6-4-5-10-20-19/h4-8,10,12,14-15,21H,9,11,13H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine?
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine has a molecular weight of 327.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 75471469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).