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

C19H30N2O2 — CID 111439811

IUPAC1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
SMILESCc1ccccc1OCC(O)CN1CCC(CN2CCCC2)C1
InChIInChI=1S/C19H30N2O2/c1-16-6-2-3-7-19(16)23-15-18(22)14-21-11-8-17(13-21)12-20-9-4-5-10-20/h2-3,6-7,17-18,22H,4-5,8-15H2,1H3
InChIKeyDQLCXOPWHXLWGL-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.15
Rot. Bonds7

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

1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 111439811) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
PubChem CID111439811
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
SMILESCc1ccccc1OCC(O)CN1CCC(CN2CCCC2)C1
InChIInChI=1S/C19H30N2O2/c1-16-6-2-3-7-19(16)23-15-18(22)14-21-11-8-17(13-21)12-20-9-4-5-10-20/h2-3,6-7,17-18,22H,4-5,8-15H2,1H3
InChIKeyDQLCXOPWHXLWGL-UHFFFAOYSA-N
XLogP2.15
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide
CID 100841093
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate
CID 7150367
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide
CID 110921573
1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol
CID 146142495
1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 16798655
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 110898165

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol (CID 111439811) is 1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol is Cc1ccccc1OCC(O)CN1CCC(CN2CCCC2)C1.
What is the InChIKey of 1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is DQLCXOPWHXLWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16-6-2-3-7-19(16)23-15-18(22)14-21-11-8-17(13-21)12-20-9-4-5-10-20/h2-3,6-7,17-18,22H,4-5,8-15H2,1H3.
What are the key properties of 1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol?
1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 318.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 111439811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).