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

C10H15NO2 — CID 131037954

IUPAC3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol
SMILESCc1ccc(O)cc1[C@H](N)C(C)O
InChIInChI=1S/C10H15NO2/c1-6-3-4-8(13)5-9(6)10(11)7(2)12/h3-5,7,10,12-13H,11H2,1-2H3/t7?,10-/m1/s1
InChIKeyBIADSOGROYJBSL-OMNKOJBGSA-N
MW181.23 g/mol
LogP1.08
Rot. Bonds2

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

3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol (PubChem CID 131037954) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol.

Molecular Properties

Compound Name3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol
PubChem CID131037954
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol
SMILESCc1ccc(O)cc1[C@H](N)C(C)O
InChIInChI=1S/C10H15NO2/c1-6-3-4-8(13)5-9(6)10(11)7(2)12/h3-5,7,10,12-13H,11H2,1-2H3/t7?,10-/m1/s1
InChIKeyBIADSOGROYJBSL-OMNKOJBGSA-N
XLogP1.08
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
CID 130658898
(1S,2S)-1-amino-1-(5-iodo-2-methylphenyl)propan-2-ol
CID 130701477
(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314
(1S,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130742251
3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 131000809
3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol
CID 131128646
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468
4-[(1S,2S)-1-amino-2-hydroxypropyl]-2,5-dimethylphenol
CID 130606708
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol
CID 130749871
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol?
The IUPAC name of 3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol (CID 131037954) is 3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol.
What is the SMILES notation for 3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol?
The canonical SMILES for 3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol is Cc1ccc(O)cc1[C@H](N)C(C)O.
What is the InChIKey of 3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol?
The InChIKey is BIADSOGROYJBSL-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-3-4-8(13)5-9(6)10(11)7(2)12/h3-5,7,10,12-13H,11H2,1-2H3/t7?,10-/m1/s1.
What are the key properties of 3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol?
3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol has a molecular weight of 181.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol is sourced from PubChem (CID 131037954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).