[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine

C16H26N2O2 — CID 62458293

IUPAC[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine
SMILESCN1CCCC1CCOCCOc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O2/c1-18-9-2-3-15(18)8-10-19-11-12-20-16-6-4-14(13-17)5-7-16/h4-7,15H,2-3,8-13,17H2,1H3
InChIKeyDGKLZVVKGDQLSG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds8

About [4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine

[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine (PubChem CID 62458293) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine
PubChem CID62458293
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine
SMILESCN1CCCC1CCOCCOc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O2/c1-18-9-2-3-15(18)8-10-19-11-12-20-16-6-4-14(13-17)5-7-16/h4-7,15H,2-3,8-13,17H2,1H3
InChIKeyDGKLZVVKGDQLSG-UHFFFAOYSA-N
XLogP2.03
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-[1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885724
[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 81279315
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
[4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine
CID 106200284
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol
CID 107912801
[4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 117052607

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine (CID 62458293) is [4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine is CN1CCCC1CCOCCOc1ccc(CN)cc1.
What is the InChIKey of [4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine?
The InChIKey is DGKLZVVKGDQLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18-9-2-3-15(18)8-10-19-11-12-20-16-6-4-14(13-17)5-7-16/h4-7,15H,2-3,8-13,17H2,1H3.
What are the key properties of [4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine?
[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine is sourced from PubChem (CID 62458293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).