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

C12H19NO — CID 28743945

IUPAC(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc([C@H](O)[C@@H](C)N)cc1
InChIInChI=1S/C12H19NO/c1-8(2)10-4-6-11(7-5-10)12(14)9(3)13/h4-9,12,14H,13H2,1-3H3/t9-,12-/m1/s1
InChIKeyHROPKJKKUNVEJR-BXKDBHETSA-N
MW193.29 g/mol
LogP2.19
Rot. Bonds3

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

(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol (PubChem CID 28743945) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
PubChem CID28743945
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc([C@H](O)[C@@H](C)N)cc1
InChIInChI=1S/C12H19NO/c1-8(2)10-4-6-11(7-5-10)12(14)9(3)13/h4-9,12,14H,13H2,1-3H3/t9-,12-/m1/s1
InChIKeyHROPKJKKUNVEJR-BXKDBHETSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 86346411
2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
CID 43566119
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 66205949
2-amino-4-methyl-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 62763785
2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol
CID 116863280
(1R,2S)-1-amino-3-methyl-1-(4-propan-2-ylphenyl)butan-2-ol
CID 171160973
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
(1S,2R)-2-amino-1-[4-(difluoromethoxy)phenyl]propan-1-ol
CID 28743825

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of (1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol (CID 28743945) is (1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccc([C@H](O)[C@@H](C)N)cc1.
What is the InChIKey of (1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol?
The InChIKey is HROPKJKKUNVEJR-BXKDBHETSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)10-4-6-11(7-5-10)12(14)9(3)13/h4-9,12,14H,13H2,1-3H3/t9-,12-/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol?
(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 28743945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).