5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol

C13H20N2O — CID 66056557

IUPAC5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol
SMILESCc1ccccc1N(C)CC1CC(O)CN1
InChIInChI=1S/C13H20N2O/c1-10-5-3-4-6-13(10)15(2)9-11-7-12(16)8-14-11/h3-6,11-12,14,16H,7-9H2,1-2H3
InChIKeyDDCKTXKSYINVND-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.15
Rot. Bonds3

About 5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol

5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol (PubChem CID 66056557) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol
PubChem CID66056557
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol
SMILESCc1ccccc1N(C)CC1CC(O)CN1
InChIInChI=1S/C13H20N2O/c1-10-5-3-4-6-13(10)15(2)9-11-7-12(16)8-14-11/h3-6,11-12,14,16H,7-9H2,1-2H3
InChIKeyDDCKTXKSYINVND-UHFFFAOYSA-N
XLogP1.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(N-ethyl-2-fluoroanilino)methyl]pyrrolidin-3-ol
CID 66056957
5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055756
5-[(4-methoxy-N-methylanilino)methyl]pyrrolidin-3-ol
CID 66056361
5-[(N-ethylanilino)methyl]pyrrolidin-3-ol
CID 66055361
2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221435
2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63487718
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119853416
(3R,5S)-5-[[methyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]methyl]pyrrolidin-3-ol
CID 154759749
(3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol
CID 167940575
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 66054578
5-(1,3-dihydroisoindol-2-ylmethyl)pyrrolidin-3-ol
CID 66057355
N,2-dimethyl-N-propylaniline
CID 69435269

Frequently Asked Questions

What is the IUPAC name of 5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol (CID 66056557) is 5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol is Cc1ccccc1N(C)CC1CC(O)CN1.
What is the InChIKey of 5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol?
The InChIKey is DDCKTXKSYINVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-3-4-6-13(10)15(2)9-11-7-12(16)8-14-11/h3-6,11-12,14,16H,7-9H2,1-2H3.
What are the key properties of 5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol?
5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol has a molecular weight of 220.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66056557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).