1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol

C17H28N2O2 — CID 58890989

IUPAC1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC[C@H]1CNc1c(C)cccc1C
InChIInChI=1S/C17H28N2O2/c1-13-6-4-7-14(2)17(13)18-10-15-8-5-9-19(15)11-16(20)12-21-3/h4,6-7,15-16,18,20H,5,8-12H2,1-3H3/t15-,16?/m0/s1
InChIKeyXBQXSGGNRUTOMV-VYRBHSGPSA-N
MW292.42 g/mol
LogP2.19
Rot. Bonds7

About 1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol

1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol (PubChem CID 58890989) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol
PubChem CID58890989
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC[C@H]1CNc1c(C)cccc1C
InChIInChI=1S/C17H28N2O2/c1-13-6-4-7-14(2)17(13)18-10-15-8-5-9-19(15)11-16(20)12-21-3/h4,6-7,15-16,18,20H,5,8-12H2,1-3H3/t15-,16?/m0/s1
InChIKeyXBQXSGGNRUTOMV-VYRBHSGPSA-N
XLogP2.19
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859
2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline
CID 129171229
1-(2-benzylpyrrolidin-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 134033749
(2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 6358994
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 115316928
N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide
CID 129343926
(2R)-1-methoxy-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129381040
1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993034
1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993028
(2S)-1-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 124795003
3-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]benzoic acid
CID 106022154

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol (CID 58890989) is 1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol is COCC(O)CN1CCC[C@H]1CNc1c(C)cccc1C.
What is the InChIKey of 1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is XBQXSGGNRUTOMV-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-6-4-7-14(2)17(13)18-10-15-8-5-9-19(15)11-16(20)12-21-3/h4,6-7,15-16,18,20H,5,8-12H2,1-3H3/t15-,16?/m0/s1.
What are the key properties of 1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol?
1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 58890989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).