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

C13H19ClN2O — CID 117390228

IUPAC2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
SMILESCN1CCC(c2ccc(C(N)CO)cc2Cl)C1
InChIInChI=1S/C13H19ClN2O/c1-16-5-4-10(7-16)11-3-2-9(6-12(11)14)13(15)8-17/h2-3,6,10,13,17H,4-5,7-8,15H2,1H3
InChIKeyWJGGHQIAXGHRRU-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.75
Rot. Bonds3

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

2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol (PubChem CID 117390228) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
PubChem CID117390228
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
SMILESCN1CCC(c2ccc(C(N)CO)cc2Cl)C1
InChIInChI=1S/C13H19ClN2O/c1-16-5-4-10(7-16)11-3-2-9(6-12(11)14)13(15)8-17/h2-3,6,10,13,17H,4-5,7-8,15H2,1H3
InChIKeyWJGGHQIAXGHRRU-UHFFFAOYSA-N
XLogP1.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol
CID 117430111
ethyl 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-hydroxyacetate
CID 117479380
N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine
CID 117354255
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine
CID 117384986
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
CID 118284741
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine
CID 117447151
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764
3-chloro-4-(1-methylpiperidin-4-yl)phenol
CID 84690225
3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine
CID 67173873
3-[3-chloro-4-(1-methylazetidin-3-yl)phenyl]-3-cyclopropylpropanoic acid
CID 117474023

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol (CID 117390228) is 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol is CN1CCC(c2ccc(C(N)CO)cc2Cl)C1.
What is the InChIKey of 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol?
The InChIKey is WJGGHQIAXGHRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16-5-4-10(7-16)11-3-2-9(6-12(11)14)13(15)8-17/h2-3,6,10,13,17H,4-5,7-8,15H2,1H3.
What are the key properties of 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol?
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol has a molecular weight of 254.76 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol is sourced from PubChem (CID 117390228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).