(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol

C11H17NO2 — CID 96622534

IUPAC(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol
SMILESCOc1ccc([C@@H](N)[C@H](C)O)cc1C
InChIInChI=1S/C11H17NO2/c1-7-6-9(11(12)8(2)13)4-5-10(7)14-3/h4-6,8,11,13H,12H2,1-3H3/t8-,11-/m0/s1
InChIKeyYJLGGNXKKIPDFU-KWQFWETISA-N
MW195.26 g/mol
LogP1.38
Rot. Bonds3

About (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol

(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol (PubChem CID 96622534) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol
PubChem CID96622534
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol
SMILESCOc1ccc([C@@H](N)[C@H](C)O)cc1C
InChIInChI=1S/C11H17NO2/c1-7-6-9(11(12)8(2)13)4-5-10(7)14-3/h4-6,8,11,13H,12H2,1-3H3/t8-,11-/m0/s1
InChIKeyYJLGGNXKKIPDFU-KWQFWETISA-N
XLogP1.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269885
(1R,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269657
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719
(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171265096
(1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol
CID 130648193
(1S,2R)-1-amino-1-(4-methoxy-3-methylphenyl)hexan-2-ol
CID 171270776
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
(1R,2S)-1-amino-1-(4-iodo-3-methylphenyl)propan-2-ol
CID 130691885
4-(1-chloroethyl)-1-methoxy-2-methylbenzene
CID 61084240
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol (CID 96622534) is (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol is COc1ccc([C@@H](N)[C@H](C)O)cc1C.
What is the InChIKey of (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol?
The InChIKey is YJLGGNXKKIPDFU-KWQFWETISA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-6-9(11(12)8(2)13)4-5-10(7)14-3/h4-6,8,11,13H,12H2,1-3H3/t8-,11-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol?
(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol is sourced from PubChem (CID 96622534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).