(2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol

C14H22N2O2 — CID 139630400

IUPAC(2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol
SMILESCN[C@H](CN1CCC[C@@H]1O)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-15-13(10-16-9-3-4-14(16)17)11-5-7-12(18-2)8-6-11/h5-8,13-15,17H,3-4,9-10H2,1-2H3/t13-,14+/m1/s1
InChIKeyAEXPEENQUBSWJE-KGLIPLIRSA-N
MW250.34 g/mol
LogP1.37
Rot. Bonds5

About (2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol

(2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol (PubChem CID 139630400) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol
PubChem CID139630400
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol
SMILESCN[C@H](CN1CCC[C@@H]1O)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-15-13(10-16-9-3-4-14(16)17)11-5-7-12(18-2)8-6-11/h5-8,13-15,17H,3-4,9-10H2,1-2H3/t13-,14+/m1/s1
InChIKeyAEXPEENQUBSWJE-KGLIPLIRSA-N
XLogP1.37
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66393253
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696
(4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 101213323
(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 10801648
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 100895743
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 107397996
4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine
CID 116952347
1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951547
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol?
The IUPAC name of (2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol (CID 139630400) is (2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol?
The canonical SMILES for (2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol is CN[C@H](CN1CCC[C@@H]1O)c1ccc(OC)cc1.
What is the InChIKey of (2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol?
The InChIKey is AEXPEENQUBSWJE-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15-13(10-16-9-3-4-14(16)17)11-5-7-12(18-2)8-6-11/h5-8,13-15,17H,3-4,9-10H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol?
(2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol has a molecular weight of 250.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol is sourced from PubChem (CID 139630400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).