(2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol

C12H17ClN2O — CID 66515532

IUPAC(2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol
SMILESN[C@H](CO)c1ccc(N2CCCC2)cc1Cl
InChIInChI=1S/C12H17ClN2O/c13-11-7-9(15-5-1-2-6-15)3-4-10(11)12(14)8-16/h3-4,7,12,16H,1-2,5-6,8,14H2/t12-/m1/s1
InChIKeyOEINKJOIJNDSEC-GFCCVEGCSA-N
MW240.73 g/mol
LogP1.93
Rot. Bonds3

About (2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol

(2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol (PubChem CID 66515532) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol
PubChem CID66515532
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol
SMILESN[C@H](CO)c1ccc(N2CCCC2)cc1Cl
InChIInChI=1S/C12H17ClN2O/c13-11-7-9(15-5-1-2-6-15)3-4-10(11)12(14)8-16/h3-4,7,12,16H,1-2,5-6,8,14H2/t12-/m1/s1
InChIKeyOEINKJOIJNDSEC-GFCCVEGCSA-N
XLogP1.93
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol
CID 66514395
(2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol
CID 66515895
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
(2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol
CID 96862844
2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
CID 155888152
(1S)-1-(2-methyl-4-pyrrolidin-1-ylphenyl)ethane-1,2-diamine
CID 66517550
2-amino-2-[2-chloro-4-(dimethylamino)phenyl]ethanol
CID 130060474
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
(1S)-1-(2-methyl-4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 66518007
4-(azocan-1-yl)-2-chlorobenzenecarbothioamide
CID 62947615
4-(2-chloro-4-piperidin-1-ylphenyl)phenol
CID 152999471
3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 82616433

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol (CID 66515532) is (2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol is N[C@H](CO)c1ccc(N2CCCC2)cc1Cl.
What is the InChIKey of (2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol?
The InChIKey is OEINKJOIJNDSEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-7-9(15-5-1-2-6-15)3-4-10(11)12(14)8-16/h3-4,7,12,16H,1-2,5-6,8,14H2/t12-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol?
(2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol has a molecular weight of 240.73 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol is sourced from PubChem (CID 66515532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).