(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride

C10H18Cl2N2O — CID 146049704

IUPAC(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
SMILESCN(C)c1cccc([C@@H](N)CO)c1.Cl.Cl
InChIInChI=1S/C10H16N2O.2ClH/c1-12(2)9-5-3-4-8(6-9)10(11)7-13;;/h3-6,10,13H,7,11H2,1-2H3;2*1H/t10-;;/m0../s1
InChIKeyNHEIAYDXFYHVCM-XRIOVQLTSA-N
MW253.17 g/mol
LogP1.59
Rot. Bonds3

About (2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride

(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride (PubChem CID 146049704) has the molecular formula C10H18Cl2N2O and a molecular weight of 253.17 g/mol. Its IUPAC name is (2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
PubChem CID146049704
Molecular FormulaC10H18Cl2N2O
Molecular Weight253.17 g/mol
Exact Mass252.08
IUPAC Name(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
SMILESCN(C)c1cccc([C@@H](N)CO)c1.Cl.Cl
InChIInChI=1S/C10H16N2O.2ClH/c1-12(2)9-5-3-4-8(6-9)10(11)7-13;;/h3-6,10,13H,7,11H2,1-2H3;2*1H/t10-;;/m0../s1
InChIKeyNHEIAYDXFYHVCM-XRIOVQLTSA-N
XLogP1.59
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
3-(1-amino-2-ethoxyethyl)-N,N-dimethylaniline
CID 105165045
3-(1-aminohex-5-ynyl)-N,N-dimethylaniline
CID 105179526
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075
3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline
CID 105139782
3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline
CID 105089022
(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
CID 133268753
(2S)-2-amino-2-(3-aminophenyl)ethanol
CID 66513825
3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
CID 82605939
(2R)-2-amino-2-[3-(difluoromethyl)phenyl]ethanol
CID 66514168
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132494
3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline
CID 105107410

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride?
The IUPAC name of (2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride (CID 146049704) is (2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride?
The canonical SMILES for (2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride is CN(C)c1cccc([C@@H](N)CO)c1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride?
The InChIKey is NHEIAYDXFYHVCM-XRIOVQLTSA-N. The full InChI is InChI=1S/C10H16N2O.2ClH/c1-12(2)9-5-3-4-8(6-9)10(11)7-13;;/h3-6,10,13H,7,11H2,1-2H3;2*1H/t10-;;/m0../s1.
What are the key properties of (2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride?
(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride has a molecular weight of 253.17 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride is sourced from PubChem (CID 146049704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).