3-(1-aminopropan-2-yl)-5-methylphenol

C10H15NO — CID 83694991

IUPAC3-(1-aminopropan-2-yl)-5-methylphenol
SMILESCc1cc(O)cc(C(C)CN)c1
InChIInChI=1S/C10H15NO/c1-7-3-9(8(2)6-11)5-10(12)4-7/h3-5,8,12H,6,11H2,1-2H3
InChIKeyXAYGWCIFWKZQOE-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.76
Rot. Bonds2

About 3-(1-aminopropan-2-yl)-5-methylphenol

3-(1-aminopropan-2-yl)-5-methylphenol (PubChem CID 83694991) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-5-methylphenol.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-5-methylphenol
PubChem CID83694991
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-(1-aminopropan-2-yl)-5-methylphenol
SMILESCc1cc(O)cc(C(C)CN)c1
InChIInChI=1S/C10H15NO/c1-7-3-9(8(2)6-11)5-10(12)4-7/h3-5,8,12H,6,11H2,1-2H3
InChIKeyXAYGWCIFWKZQOE-UHFFFAOYSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)propan-1-amine
CID 79003874
2-(3-methoxy-5-methylphenyl)propan-1-amine
CID 83696098
3-(1-amino-2-hydroxyethyl)-5-methylphenol
CID 84765201
5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802474
1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol
CID 170817493
2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol
CID 84802476
3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol
CID 65190666
5-methylbenzene-1,3-diol;propane
CID 70587781
ethyl 2,3-dihydroxy-3-(3-hydroxy-5-methylphenyl)propanoate
CID 171865738
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
CID 175809990
CID 175809990
1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol
CID 171857583

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-5-methylphenol?
The IUPAC name of 3-(1-aminopropan-2-yl)-5-methylphenol (CID 83694991) is 3-(1-aminopropan-2-yl)-5-methylphenol.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-5-methylphenol?
The canonical SMILES for 3-(1-aminopropan-2-yl)-5-methylphenol is Cc1cc(O)cc(C(C)CN)c1.
What is the InChIKey of 3-(1-aminopropan-2-yl)-5-methylphenol?
The InChIKey is XAYGWCIFWKZQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-3-9(8(2)6-11)5-10(12)4-7/h3-5,8,12H,6,11H2,1-2H3.
What are the key properties of 3-(1-aminopropan-2-yl)-5-methylphenol?
3-(1-aminopropan-2-yl)-5-methylphenol has a molecular weight of 165.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-5-methylphenol is sourced from PubChem (CID 83694991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).