(2R)-1-(3-methylanilino)propan-2-ol

C10H15NO — CID 39236024

IUPAC(2R)-1-(3-methylanilino)propan-2-ol
SMILESCc1cccc(NC[C@@H](C)O)c1
InChIInChI=1S/C10H15NO/c1-8-4-3-5-10(6-8)11-7-9(2)12/h3-6,9,11-12H,7H2,1-2H3/t9-/m1/s1
InChIKeyGBNSITJJRUFEBA-SECBINFHSA-N
MW165.24 g/mol
LogP1.79
Rot. Bonds3

About (2R)-1-(3-methylanilino)propan-2-ol

(2R)-1-(3-methylanilino)propan-2-ol (PubChem CID 39236024) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2R)-1-(3-methylanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-methylanilino)propan-2-ol
PubChem CID39236024
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2R)-1-(3-methylanilino)propan-2-ol
SMILESCc1cccc(NC[C@@H](C)O)c1
InChIInChI=1S/C10H15NO/c1-8-4-3-5-10(6-8)11-7-9(2)12/h3-6,9,11-12H,7H2,1-2H3/t9-/m1/s1
InChIKeyGBNSITJJRUFEBA-SECBINFHSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
3-(3-methylanilino)propane-1,2-diol
CID 3016394
3-methyl-N-(2-methylbutyl)aniline
CID 43103774
2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60902513
1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
3-methyl-N-(2-methylpentyl)aniline
CID 43103474
N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline
CID 142295227
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine
CID 83945325
(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
CID 106931972
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methylanilino)propan-2-ol?
The IUPAC name of (2R)-1-(3-methylanilino)propan-2-ol (CID 39236024) is (2R)-1-(3-methylanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-(3-methylanilino)propan-2-ol?
The canonical SMILES for (2R)-1-(3-methylanilino)propan-2-ol is Cc1cccc(NC[C@@H](C)O)c1.
What is the InChIKey of (2R)-1-(3-methylanilino)propan-2-ol?
The InChIKey is GBNSITJJRUFEBA-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-4-3-5-10(6-8)11-7-9(2)12/h3-6,9,11-12H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1-(3-methylanilino)propan-2-ol?
(2R)-1-(3-methylanilino)propan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methylanilino)propan-2-ol is sourced from PubChem (CID 39236024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).