(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride

C12H20ClNO — CID 171162397

IUPAC(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
SMILESCC(C)c1ccc([C@H](N)[C@@H](C)O)cc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-8(2)10-4-6-11(7-5-10)12(13)9(3)14;/h4-9,12,14H,13H2,1-3H3;1H/t9-,12-;/m1./s1
InChIKeyZUFCJHMJNRXEDW-WYUVZMMLSA-N
MW229.75 g/mol
LogP2.61
Rot. Bonds3

About (1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride (PubChem CID 171162397) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
PubChem CID171162397
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
SMILESCC(C)c1ccc([C@H](N)[C@@H](C)O)cc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-8(2)10-4-6-11(7-5-10)12(13)9(3)14;/h4-9,12,14H,13H2,1-3H3;1H/t9-,12-;/m1./s1
InChIKeyZUFCJHMJNRXEDW-WYUVZMMLSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
(1R,2S)-1-amino-3-methyl-1-(4-propan-2-ylphenyl)butan-2-ol
CID 171160973
1-amino-1-(4-sulfanylphenyl)propan-2-ol
CID 55292846
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)butan-2-ol;hydrochloride
CID 171162399
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol
CID 130779699
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
(1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol
CID 55270641
(1S,2R)-1-amino-1-(4-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171266991

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride (CID 171162397) is (1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride is CC(C)c1ccc([C@H](N)[C@@H](C)O)cc1.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride?
The InChIKey is ZUFCJHMJNRXEDW-WYUVZMMLSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-8(2)10-4-6-11(7-5-10)12(13)9(3)14;/h4-9,12,14H,13H2,1-3H3;1H/t9-,12-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171162397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).