(1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride

C13H20Cl2N2O — CID 171264677

IUPAC(1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride
SMILESCN(C)c1ccc([C@@H](N)[C@@H](O)C2CC2)c(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-16(2)9-5-6-10(11(14)7-9)12(15)13(17)8-3-4-8;/h5-8,12-13,17H,3-4,15H2,1-2H3;1H/t12-,13+;/m1./s1
InChIKeyIXAXOQMFKNYPPK-KZCZEQIWSA-N
MW291.22 g/mol
LogP2.60
Rot. Bonds4

About (1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride

(1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride (PubChem CID 171264677) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride
PubChem CID171264677
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name(1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride
SMILESCN(C)c1ccc([C@@H](N)[C@@H](O)C2CC2)c(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-16(2)9-5-6-10(11(14)7-9)12(15)13(17)8-3-4-8;/h5-8,12-13,17H,3-4,15H2,1-2H3;1H/t12-,13+;/m1./s1
InChIKeyIXAXOQMFKNYPPK-KZCZEQIWSA-N
XLogP2.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171212641
(1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol
CID 171161359
4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline
CID 171212628
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4-dichlorophenyl)ethanol;hydrochloride
CID 171162618
2-amino-2-[2-chloro-4-(dimethylamino)phenyl]ethanol
CID 130060474
(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride
CID 171212662
(3R)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171250576
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline
CID 131256078
4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171232241
(3S)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol
CID 171243846
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171232237
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171270245

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride (CID 171264677) is (1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride is CN(C)c1ccc([C@@H](N)[C@@H](O)C2CC2)c(Cl)c1.Cl.
What is the InChIKey of (1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride?
The InChIKey is IXAXOQMFKNYPPK-KZCZEQIWSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-16(2)9-5-6-10(11(14)7-9)12(15)13(17)8-3-4-8;/h5-8,12-13,17H,3-4,15H2,1-2H3;1H/t12-,13+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride?
(1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride is sourced from PubChem (CID 171264677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).