1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol

C20H24N2O2 — CID 77097788

IUPAC1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1(O)CCN(Cc2cccc3c2oc2ccccc23)C1
InChIInChI=1S/C20H24N2O2/c1-21(2)13-20(23)10-11-22(14-20)12-15-6-5-8-17-16-7-3-4-9-18(16)24-19(15)17/h3-9,23H,10-14H2,1-2H3
InChIKeyOQPCGUZSCDNXKK-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.08
Rot. Bonds4

About 1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 77097788) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID77097788
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1(O)CCN(Cc2cccc3c2oc2ccccc23)C1
InChIInChI=1S/C20H24N2O2/c1-21(2)13-20(23)10-11-22(14-20)12-15-6-5-8-17-16-7-3-4-9-18(16)24-19(15)17/h3-9,23H,10-14H2,1-2H3
InChIKeyOQPCGUZSCDNXKK-UHFFFAOYSA-N
XLogP3.08
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol
CID 70748363
(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 95897724
11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754580
2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 77097205
2-[[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]benzoic acid
CID 77081860
(3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol
CID 95889349
(4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-[(dimethylamino)methyl]azepan-4-ol
CID 95730390
2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30675012
1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 131891384
[5-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 131914559
3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 26329389
1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 133497039

Frequently Asked Questions

What is the IUPAC name of 1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 77097788) is 1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1(O)CCN(Cc2cccc3c2oc2ccccc23)C1.
What is the InChIKey of 1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is OQPCGUZSCDNXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-21(2)13-20(23)10-11-22(14-20)12-15-6-5-8-17-16-7-3-4-9-18(16)24-19(15)17/h3-9,23H,10-14H2,1-2H3.
What are the key properties of 1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 324.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 77097788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).