3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol

C18H29NO2 — CID 62466933

IUPAC3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(C)c(OCCCN2CCCC2CCCO)c1
InChIInChI=1S/C18H29NO2/c1-15-8-9-16(2)18(14-15)21-13-5-11-19-10-3-6-17(19)7-4-12-20/h8-9,14,17,20H,3-7,10-13H2,1-2H3
InChIKeyGQBCVPZXEPYHFF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.31
Rot. Bonds8

About 3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62466933) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62466933
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(C)c(OCCCN2CCCC2CCCO)c1
InChIInChI=1S/C18H29NO2/c1-15-8-9-16(2)18(14-15)21-13-5-11-19-10-3-6-17(19)7-4-12-20/h8-9,14,17,20H,3-7,10-13H2,1-2H3
InChIKeyGQBCVPZXEPYHFF-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.31
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

[(2R)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 62736389
[(2S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 79028219
3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 111103083
1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490979
3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467990
3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467802
3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076411
1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidine-2-carboxylic acid
CID 43442169
[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927215
3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466981
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43441878
3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467287

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol (CID 62466933) is 3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol is Cc1ccc(C)c(OCCCN2CCCC2CCCO)c1.
What is the InChIKey of 3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is GQBCVPZXEPYHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15-8-9-16(2)18(14-15)21-13-5-11-19-10-3-6-17(19)7-4-12-20/h8-9,14,17,20H,3-7,10-13H2,1-2H3.
What are the key properties of 3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62466933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).