(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol

C11H17NO — CID 130775708

IUPAC(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(C)cc([C@@](C)(N)CO)c1
InChIInChI=1S/C11H17NO/c1-8-4-9(2)6-10(5-8)11(3,12)7-13/h4-6,13H,7,12H2,1-3H3/t11-/m0/s1
InChIKeyCLCHMNARXMBVHN-NSHDSACASA-N
MW179.26 g/mol
LogP1.47
Rot. Bonds2

About (2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol

(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol (PubChem CID 130775708) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol
PubChem CID130775708
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(C)cc([C@@](C)(N)CO)c1
InChIInChI=1S/C11H17NO/c1-8-4-9(2)6-10(5-8)11(3,12)7-13/h4-6,13H,7,12H2,1-3H3/t11-/m0/s1
InChIKeyCLCHMNARXMBVHN-NSHDSACASA-N
XLogP1.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(3,5-dimethylphenyl)butan-1-ol
CID 131048662
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CID 130987369
2-amino-2-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 54979927
(3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol
CID 130706389
2-(3,5-dimethylphenyl)-2,2-difluoroethanol
CID 58543608
(3,5-dimethylphenyl)methanetriamine
CID 143122462
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,6-dimethylphenol
CID 131196188
2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol
CID 55262663
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
2-amino-2-[6-(4-methylphenoxy)naphthalen-2-yl]propan-1-ol
CID 67530457
2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine
CID 112565200
(2S)-2-amino-2-(4-amino-3-bromo-5-chlorophenyl)propan-1-ol
CID 130611672

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol?
The IUPAC name of (2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol (CID 130775708) is (2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol is Cc1cc(C)cc([C@@](C)(N)CO)c1.
What is the InChIKey of (2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol?
The InChIKey is CLCHMNARXMBVHN-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-9(2)6-10(5-8)11(3,12)7-13/h4-6,13H,7,12H2,1-3H3/t11-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol?
(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 130775708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).