[1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol

C15H24N2O2 — CID 102781715

IUPAC[1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCOc1cccc(N2CCC(C)C2CO)c1[C@H](C)N
InChIInChI=1S/C15H24N2O2/c1-10-7-8-17(13(10)9-18)12-5-4-6-14(19-3)15(12)11(2)16/h4-6,10-11,13,18H,7-9,16H2,1-3H3/t10?,11-,13?/m0/s1
InChIKeyAJAYWGICFWLTTE-AKJDGMEZSA-N
MW264.37 g/mol
LogP1.92
Rot. Bonds4

About [1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol

[1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102781715) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102781715
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCOc1cccc(N2CCC(C)C2CO)c1[C@H](C)N
InChIInChI=1S/C15H24N2O2/c1-10-7-8-17(13(10)9-18)12-5-4-6-14(19-3)15(12)11(2)16/h4-6,10-11,13,18H,7-9,16H2,1-3H3/t10?,11-,13?/m0/s1
InChIKeyAJAYWGICFWLTTE-AKJDGMEZSA-N
XLogP1.92
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777389
[1-(3-methoxy-2-nitrophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786974
(1S)-1-[2-(2-ethylazepan-1-yl)-6-methoxyphenyl]ethanamine
CID 104690196
[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777296
1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 113388932
(1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine
CID 113388930
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol
CID 113389249
(1R)-1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 106314700
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102967008
(1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
CID 102782294
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanamine
CID 114460236

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol (CID 102781715) is [1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol is COc1cccc(N2CCC(C)C2CO)c1[C@H](C)N.
What is the InChIKey of [1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is AJAYWGICFWLTTE-AKJDGMEZSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-7-8-17(13(10)9-18)12-5-4-6-14(19-3)15(12)11(2)16/h4-6,10-11,13,18H,7-9,16H2,1-3H3/t10?,11-,13?/m0/s1.
What are the key properties of [1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102781715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).