[4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol

C20H26N2O3 — CID 145415538

IUPAC[4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol
SMILESCOc1cccc(NC2CCN(CCOc3ccc(CO)cc3)C2)c1
InChIInChI=1S/C20H26N2O3/c1-24-20-4-2-3-17(13-20)21-18-9-10-22(14-18)11-12-25-19-7-5-16(15-23)6-8-19/h2-8,13,18,21,23H,9-12,14-15H2,1H3
InChIKeyKPMVHAPIEGFKPD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.75
Rot. Bonds8

About [4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol

[4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol (PubChem CID 145415538) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol
PubChem CID145415538
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol
SMILESCOc1cccc(NC2CCN(CCOc3ccc(CO)cc3)C2)c1
InChIInChI=1S/C20H26N2O3/c1-24-20-4-2-3-17(13-20)21-18-9-10-22(14-18)11-12-25-19-7-5-16(15-23)6-8-19/h2-8,13,18,21,23H,9-12,14-15H2,1H3
InChIKeyKPMVHAPIEGFKPD-UHFFFAOYSA-N
XLogP2.75
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol
CID 145415484
2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid
CID 167821181
2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol
CID 115648330
N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine
CID 54864978
1-[2-[4-(hydroxymethyl)phenoxy]ethyl]pyrrolidin-3-ol;trifluoromethoxybenzene
CID 145415282
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422
formic acid;N-(2-hydroxyethyl)-4-[[1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-3-yl]methyl]benzamide
CID 171710838
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
N-(3-methylphenyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211943

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol?
The IUPAC name of [4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol (CID 145415538) is [4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol?
The canonical SMILES for [4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol is COc1cccc(NC2CCN(CCOc3ccc(CO)cc3)C2)c1.
What is the InChIKey of [4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol?
The InChIKey is KPMVHAPIEGFKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-20-4-2-3-17(13-20)21-18-9-10-22(14-18)11-12-25-19-7-5-16(15-23)6-8-19/h2-8,13,18,21,23H,9-12,14-15H2,1H3.
What are the key properties of [4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol?
[4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol has a molecular weight of 342.44 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol is sourced from PubChem (CID 145415538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).