1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine

C15H24N2O2 — CID 103975675

IUPAC1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCOc1ccc(OC)c(CN2CCC(C(C)N)C2)c1
InChIInChI=1S/C15H24N2O2/c1-11(16)12-6-7-17(9-12)10-13-8-14(18-2)4-5-15(13)19-3/h4-5,8,11-12H,6-7,9-10,16H2,1-3H3
InChIKeyQJOLSQOOWQWUCN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.87
Rot. Bonds5

About 1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine

1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 103975675) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
PubChem CID103975675
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCOc1ccc(OC)c(CN2CCC(C(C)N)C2)c1
InChIInChI=1S/C15H24N2O2/c1-11(16)12-6-7-17(9-12)10-13-8-14(18-2)4-5-15(13)19-3/h4-5,8,11-12H,6-7,9-10,16H2,1-3H3
InChIKeyQJOLSQOOWQWUCN-UHFFFAOYSA-N
XLogP1.87
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine with MolForge

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Related Compounds

1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238
2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
CID 55217645
1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920705
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975552
1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975538
1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 764461
1-[1-[[2-(methoxymethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975618
1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol
CID 63282227
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273
1-[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 106835457
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyaniline
CID 43620120
1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine
CID 82159596

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine (CID 103975675) is 1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine is COc1ccc(OC)c(CN2CCC(C(C)N)C2)c1.
What is the InChIKey of 1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is QJOLSQOOWQWUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(16)12-6-7-17(9-12)10-13-8-14(18-2)4-5-15(13)19-3/h4-5,8,11-12H,6-7,9-10,16H2,1-3H3.
What are the key properties of 1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine?
1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).