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

C11H17NO2 — CID 131145624

IUPAC3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol
SMILESCOc1ccc(O)cc1[C@@H](N)C(C)C
InChIInChI=1S/C11H17NO2/c1-7(2)11(12)9-6-8(13)4-5-10(9)14-3/h4-7,11,13H,12H2,1-3H3/t11-/m0/s1
InChIKeyJRSXJCZVMCYUMT-NSHDSACASA-N
MW195.26 g/mol
LogP2.06
Rot. Bonds3

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

3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol (PubChem CID 131145624) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol.

Molecular Properties

Compound Name3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol
PubChem CID131145624
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol
SMILESCOc1ccc(O)cc1[C@@H](N)C(C)C
InChIInChI=1S/C11H17NO2/c1-7(2)11(12)9-6-8(13)4-5-10(9)14-3/h4-7,11,13H,12H2,1-3H3/t11-/m0/s1
InChIKeyJRSXJCZVMCYUMT-NSHDSACASA-N
XLogP2.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 131000809
3-[(1R)-1-aminoethyl]-4-methoxyphenol
CID 131197518
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
2-[(1S)-1-amino-2-methylpropyl]benzene-1,4-diol
CID 55253395
4-methoxy-3-[1-(methylamino)ethyl]phenol
CID 84732356
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-3-methoxyphenol
CID 171261323
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996
3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol
CID 55296324
ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate
CID 105481737
4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
CID 55254730
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160952

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol?
The IUPAC name of 3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol (CID 131145624) is 3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol.
What is the SMILES notation for 3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol?
The canonical SMILES for 3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol is COc1ccc(O)cc1[C@@H](N)C(C)C.
What is the InChIKey of 3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol?
The InChIKey is JRSXJCZVMCYUMT-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO2/c1-7(2)11(12)9-6-8(13)4-5-10(9)14-3/h4-7,11,13H,12H2,1-3H3/t11-/m0/s1.
What are the key properties of 3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol?
3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol has a molecular weight of 195.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol is sourced from PubChem (CID 131145624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).