2-[(1S)-1-amino-2-methylpropyl]phenol

C10H15NO — CID 14939349

IUPAC2-[(1S)-1-amino-2-methylpropyl]phenol
SMILESCC(C)[C@H](N)c1ccccc1O
InChIInChI=1S/C10H15NO/c1-7(2)10(11)8-5-3-4-6-9(8)12/h3-7,10,12H,11H2,1-2H3/t10-/m0/s1
InChIKeyQELSFNFBRLPCBN-JTQLQIEISA-N
MW165.24 g/mol
LogP2.05
Rot. Bonds2

About 2-[(1S)-1-amino-2-methylpropyl]phenol

2-[(1S)-1-amino-2-methylpropyl]phenol (PubChem CID 14939349) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-methylpropyl]phenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-methylpropyl]phenol
PubChem CID14939349
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-[(1S)-1-amino-2-methylpropyl]phenol
SMILESCC(C)[C@H](N)c1ccccc1O
InChIInChI=1S/C10H15NO/c1-7(2)10(11)8-5-3-4-6-9(8)12/h3-7,10,12H,11H2,1-2H3/t10-/m0/s1
InChIKeyQELSFNFBRLPCBN-JTQLQIEISA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
2-[(1S)-1-amino-2-methylpropyl]benzene-1,4-diol
CID 55253395
2-[(1S,2R)-1-amino-2-hydroxy-4-methylpentyl]phenol;hydrochloride
CID 171162441
2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol
CID 130870954
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
2-(1-amino-2-methylpropyl)-6-fluorophenol
CID 55294236
1-(2-ethylphenyl)-2-methylpropan-1-amine
CID 55283279
4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol
CID 130690034
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
2-[(1S)-1-amino-2-methylpropyl]-4-methylsulfanylphenol
CID 131106173
lithium;hydride;2-propan-2-ylphenol
CID 175276368
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-methylpropyl]phenol?
The IUPAC name of 2-[(1S)-1-amino-2-methylpropyl]phenol (CID 14939349) is 2-[(1S)-1-amino-2-methylpropyl]phenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-methylpropyl]phenol?
The canonical SMILES for 2-[(1S)-1-amino-2-methylpropyl]phenol is CC(C)[C@H](N)c1ccccc1O.
What is the InChIKey of 2-[(1S)-1-amino-2-methylpropyl]phenol?
The InChIKey is QELSFNFBRLPCBN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)10(11)8-5-3-4-6-9(8)12/h3-7,10,12H,11H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[(1S)-1-amino-2-methylpropyl]phenol?
2-[(1S)-1-amino-2-methylpropyl]phenol has a molecular weight of 165.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-methylpropyl]phenol is sourced from PubChem (CID 14939349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).