(2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol

C14H22N2O2 — CID 66515465

IUPAC(2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
SMILESN[C@H](CO)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C14H22N2O2/c15-14(11-17)12-3-5-13(6-4-12)18-10-9-16-7-1-2-8-16/h3-6,14,17H,1-2,7-11,15H2/t14-/m1/s1
InChIKeyYLPBTZTVFKJNNI-CQSZACIVSA-N
MW250.34 g/mol
LogP1.15
Rot. Bonds6

About (2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol

(2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (PubChem CID 66515465) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
PubChem CID66515465
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
SMILESN[C@H](CO)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C14H22N2O2/c15-14(11-17)12-3-5-13(6-4-12)18-10-9-16-7-1-2-8-16/h3-6,14,17H,1-2,7-11,15H2/t14-/m1/s1
InChIKeyYLPBTZTVFKJNNI-CQSZACIVSA-N
XLogP1.15
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 78937096
2-hydroxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 139930605
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
CID 78933445
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 23553296
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
CID 161147503
CID 161147503
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (CID 66515465) is (2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol is N[C@H](CO)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of (2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol?
The InChIKey is YLPBTZTVFKJNNI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-14(11-17)12-3-5-13(6-4-12)18-10-9-16-7-1-2-8-16/h3-6,14,17H,1-2,7-11,15H2/t14-/m1/s1.
What are the key properties of (2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol?
(2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol has a molecular weight of 250.34 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol is sourced from PubChem (CID 66515465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).