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

C17H27NO2 — CID 62467990

IUPAC3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1cccc(OCCCN2CCCC2CCCO)c1
InChIInChI=1S/C17H27NO2/c1-15-6-2-9-17(14-15)20-13-5-11-18-10-3-7-16(18)8-4-12-19/h2,6,9,14,16,19H,3-5,7-8,10-13H2,1H3
InChIKeyIZXKVZXFIRPJBH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.00
Rot. Bonds8

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

3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467990) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62467990
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1cccc(OCCCN2CCCC2CCCO)c1
InChIInChI=1S/C17H27NO2/c1-15-6-2-9-17(14-15)20-13-5-11-18-10-3-7-16(18)8-4-12-19/h2,6,9,14,16,19H,3-5,7-8,10-13H2,1H3
InChIKeyIZXKVZXFIRPJBH-UHFFFAOYSA-N
XLogP3.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.00
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

2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine
CID 112518629
3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62466799
3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466933
3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076411
N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 63250259
3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 111103083
1-[3-(3-methylphenoxy)propyl]piperidine-2-carbaldehyde
CID 62654960
3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467287
[1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 20619549
3-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-2-carboxylic acid
CID 107072339
3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466981
[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methyl benzenesulfonate
CID 19803901

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol (CID 62467990) is 3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol is Cc1cccc(OCCCN2CCCC2CCCO)c1.
What is the InChIKey of 3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is IZXKVZXFIRPJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-15-6-2-9-17(14-15)20-13-5-11-18-10-3-7-16(18)8-4-12-19/h2,6,9,14,16,19H,3-5,7-8,10-13H2,1H3.
What are the key properties of 3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).