2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol

C13H19ClN2O2 — CID 117430111

IUPAC2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol
SMILESCN1CCC(Oc2ccc(C(N)CO)cc2Cl)C1
InChIInChI=1S/C13H19ClN2O2/c1-16-5-4-10(7-16)18-13-3-2-9(6-11(13)14)12(15)8-17/h2-3,6,10,12,17H,4-5,7-8,15H2,1H3
InChIKeyLMEQCWNXDAMKIN-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.41
Rot. Bonds4

About 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol

2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol (PubChem CID 117430111) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol
PubChem CID117430111
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol
SMILESCN1CCC(Oc2ccc(C(N)CO)cc2Cl)C1
InChIInChI=1S/C13H19ClN2O2/c1-16-5-4-10(7-16)18-13-3-2-9(6-11(13)14)12(15)8-17/h2-3,6,10,12,17H,4-5,7-8,15H2,1H3
InChIKeyLMEQCWNXDAMKIN-UHFFFAOYSA-N
XLogP1.41
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
CID 117458481
methyl 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-hydroxyacetate
CID 117482639
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
CID 117390228
1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine
CID 62910695
O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine
CID 117395405
3-chloro-4-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005380
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
2-amino-2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]acetic acid
CID 117429830
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-oxoacetic acid
CID 117456013
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 115005056
methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate
CID 117460126
3-amino-3-(3-chloro-4-cyclobutyloxyphenyl)propanoic acid
CID 117427330

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol?
The IUPAC name of 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol (CID 117430111) is 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol.
What is the SMILES notation for 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol?
The canonical SMILES for 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol is CN1CCC(Oc2ccc(C(N)CO)cc2Cl)C1.
What is the InChIKey of 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol?
The InChIKey is LMEQCWNXDAMKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-16-5-4-10(7-16)18-13-3-2-9(6-11(13)14)12(15)8-17/h2-3,6,10,12,17H,4-5,7-8,15H2,1H3.
What are the key properties of 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol?
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol has a molecular weight of 270.76 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol is sourced from PubChem (CID 117430111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).