1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol

C16H25NO2 — CID 110020455

IUPAC1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccccc1OCCCN1CCC(C(C)O)C1
InChIInChI=1S/C16H25NO2/c1-13-6-3-4-7-16(13)19-11-5-9-17-10-8-15(12-17)14(2)18/h3-4,6-7,14-15,18H,5,8-12H2,1-2H3
InChIKeyNYIPNRPJDIIMKK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds6

About 1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol

1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol (PubChem CID 110020455) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol
PubChem CID110020455
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccccc1OCCCN1CCC(C(C)O)C1
InChIInChI=1S/C16H25NO2/c1-13-6-3-4-7-16(13)19-11-5-9-17-10-8-15(12-17)14(2)18/h3-4,6-7,14-15,18H,5,8-12H2,1-2H3
InChIKeyNYIPNRPJDIIMKK-UHFFFAOYSA-N
XLogP2.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614
(1S)-1-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]ethanol
CID 97160833
4-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propoxy]benzenecarbothioamide
CID 115965319
N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide
CID 86869655
2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237280
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110022688
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
CID 127029872
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63364786
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol (CID 110020455) is 1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol is Cc1ccccc1OCCCN1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol?
The InChIKey is NYIPNRPJDIIMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-6-3-4-7-16(13)19-11-5-9-17-10-8-15(12-17)14(2)18/h3-4,6-7,14-15,18H,5,8-12H2,1-2H3.
What are the key properties of 1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol?
1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110020455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).