(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride

C19H26ClNO — CID 171261579

IUPAC(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCC(C)(C)c1ccc([C@@H](N)[C@@H](O)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H25NO.ClH/c1-19(2,3)16-11-9-15(10-12-16)18(20)17(21)13-14-7-5-4-6-8-14;/h4-12,17-18,21H,13,20H2,1-3H3;1H/t17-,18+;/m0./s1
InChIKeyAODBXDVLHKJHLW-CJRXIRLBSA-N
MW319.88 g/mol
LogP4.01
Rot. Bonds4

About (1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride (PubChem CID 171261579) has the molecular formula C19H26ClNO and a molecular weight of 319.88 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
PubChem CID171261579
Molecular FormulaC19H26ClNO
Molecular Weight319.88 g/mol
Exact Mass319.17
IUPAC Name(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCC(C)(C)c1ccc([C@@H](N)[C@@H](O)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H25NO.ClH/c1-19(2,3)16-11-9-15(10-12-16)18(20)17(21)13-14-7-5-4-6-8-14;/h4-12,17-18,21H,13,20H2,1-3H3;1H/t17-,18+;/m0./s1
InChIKeyAODBXDVLHKJHLW-CJRXIRLBSA-N
XLogP4.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267264
(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171261024
(1S,2R)-1-amino-1-(4-methylsulfanylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171270436
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
(1R,2S)-1-amino-1-[4-(diethylamino)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263451
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
CID 171263718
(1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol
CID 171266575
3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol
CID 103459420
(1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171162521
(1R,2S)-1-amino-1-(4-nitrophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171260882
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262339

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride (CID 171261579) is (1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride is CC(C)(C)c1ccc([C@@H](N)[C@@H](O)Cc2ccccc2)cc1.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride?
The InChIKey is AODBXDVLHKJHLW-CJRXIRLBSA-N. The full InChI is InChI=1S/C19H25NO.ClH/c1-19(2,3)16-11-9-15(10-12-16)18(20)17(21)13-14-7-5-4-6-8-14;/h4-12,17-18,21H,13,20H2,1-3H3;1H/t17-,18+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 171261579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).