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

C11H17NO2 — CID 55265729

IUPAC(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
SMILESCOc1ccc([C@H](N)CCO)cc1C
InChIInChI=1S/C11H17NO2/c1-8-7-9(10(12)5-6-13)3-4-11(8)14-2/h3-4,7,10,13H,5-6,12H2,1-2H3/t10-/m1/s1
InChIKeyLIUQRLRMLOQFLQ-SNVBAGLBSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds4

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

(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol (PubChem CID 55265729) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
PubChem CID55265729
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
SMILESCOc1ccc([C@H](N)CCO)cc1C
InChIInChI=1S/C11H17NO2/c1-8-7-9(10(12)5-6-13)3-4-11(8)14-2/h3-4,7,10,13H,5-6,12H2,1-2H3/t10-/m1/s1
InChIKeyLIUQRLRMLOQFLQ-SNVBAGLBSA-N
XLogP1.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
CID 171233352
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171225064
(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171205490
4-(1-amino-3-hydroxypropyl)-2-methylphenol
CID 55282245
1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
CID 43379716
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol (CID 55265729) is (3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol is COc1ccc([C@H](N)CCO)cc1C.
What is the InChIKey of (3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol?
The InChIKey is LIUQRLRMLOQFLQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-7-9(10(12)5-6-13)3-4-11(8)14-2/h3-4,7,10,13H,5-6,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol?
(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 55265729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).