(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol

C11H17NO — CID 93182212

IUPAC(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc([C@H](O)CCN)c(C)c1
InChIInChI=1S/C11H17NO/c1-8-3-4-10(9(2)7-8)11(13)5-6-12/h3-4,7,11,13H,5-6,12H2,1-2H3/t11-/m1/s1
InChIKeyURAULQTWHQZJIO-LLVKDONJSA-N
MW179.26 g/mol
LogP1.69
Rot. Bonds3

About (1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol

(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol (PubChem CID 93182212) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
PubChem CID93182212
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc([C@H](O)CCN)c(C)c1
InChIInChI=1S/C11H17NO/c1-8-3-4-10(9(2)7-8)11(13)5-6-12/h3-4,7,11,13H,5-6,12H2,1-2H3/t11-/m1/s1
InChIKeyURAULQTWHQZJIO-LLVKDONJSA-N
XLogP1.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol
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3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol
CID 81116743
4-(2,4-dimethylphenyl)-4-hydroxybutanenitrile
CID 82075433
1-(2,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148088
1-(2,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65147990
1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
CID 61100605
3-cyclopropyl-3-(2,4-dimethylphenyl)propan-1-amine
CID 82076833
3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82074631
5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide
CID 112510395
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
CID 82048901

Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol?
The IUPAC name of (1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol (CID 93182212) is (1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol is Cc1ccc([C@H](O)CCN)c(C)c1.
What is the InChIKey of (1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol?
The InChIKey is URAULQTWHQZJIO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-3-4-10(9(2)7-8)11(13)5-6-12/h3-4,7,11,13H,5-6,12H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol?
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 93182212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).