4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol

C11H17NO — CID 55254730

IUPAC4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
SMILESCc1cc(O)ccc1[C@@H](N)C(C)C
InChIInChI=1S/C11H17NO/c1-7(2)11(12)10-5-4-9(13)6-8(10)3/h4-7,11,13H,12H2,1-3H3/t11-/m0/s1
InChIKeyOFFCJRHYHZKFQL-NSHDSACASA-N
MW179.26 g/mol
LogP2.36
Rot. Bonds2

About 4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol

4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol (PubChem CID 55254730) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
PubChem CID55254730
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
SMILESCc1cc(O)ccc1[C@@H](N)C(C)C
InChIInChI=1S/C11H17NO/c1-7(2)11(12)10-5-4-9(13)6-8(10)3/h4-7,11,13H,12H2,1-3H3/t11-/m0/s1
InChIKeyOFFCJRHYHZKFQL-NSHDSACASA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
CID 55275534
4-(1-amino-2-methylpropyl)-3-fluorophenol
CID 55282884
2-[(1S)-1-amino-2-methylpropyl]benzene-1,4-diol
CID 55253395
(1R)-1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 96662464
1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 82477672
4-(1-hydrazinylethyl)-3-methylphenol
CID 53402333
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
4-butan-2-yl-3-methylphenol
CID 21413615
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
methyl 2-(4-hydroxy-2-methylphenyl)propanoate
CID 131289275
3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol
CID 131145624

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol?
The IUPAC name of 4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol (CID 55254730) is 4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol.
What is the SMILES notation for 4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol?
The canonical SMILES for 4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol is Cc1cc(O)ccc1[C@@H](N)C(C)C.
What is the InChIKey of 4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol?
The InChIKey is OFFCJRHYHZKFQL-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO/c1-7(2)11(12)10-5-4-9(13)6-8(10)3/h4-7,11,13H,12H2,1-3H3/t11-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol?
4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol has a molecular weight of 179.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol is sourced from PubChem (CID 55254730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).