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

C10H15NO2 — CID 130650619

IUPAC4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
SMILESCc1cc(O)ccc1[C@H](N)[C@@H](C)O
InChIInChI=1S/C10H15NO2/c1-6-5-8(13)3-4-9(6)10(11)7(2)12/h3-5,7,10,12-13H,11H2,1-2H3/t7-,10-/m1/s1
InChIKeyAPJUFQKKWKEWCY-GMSGAONNSA-N
MW181.23 g/mol
LogP1.08
Rot. Bonds2

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

4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol (PubChem CID 130650619) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol.

Molecular Properties

Compound Name4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
PubChem CID130650619
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
SMILESCc1cc(O)ccc1[C@H](N)[C@@H](C)O
InChIInChI=1S/C10H15NO2/c1-6-5-8(13)3-4-9(6)10(11)7(2)12/h3-5,7,10,12-13H,11H2,1-2H3/t7-,10-/m1/s1
InChIKeyAPJUFQKKWKEWCY-GMSGAONNSA-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)-1-amino-2-methylpropyl]-3-methylphenol
CID 55254730
3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 131037954
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
CID 130658898
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996
4-[(1S,2S)-1-amino-2-hydroxypropyl]-2,5-dimethylphenol
CID 130606708
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
4-(1-hydrazinylethyl)-3-methylphenol
CID 53402333
3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 131000809

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol?
The IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol (CID 130650619) is 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol.
What is the SMILES notation for 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol?
The canonical SMILES for 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol is Cc1cc(O)ccc1[C@H](N)[C@@H](C)O.
What is the InChIKey of 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol?
The InChIKey is APJUFQKKWKEWCY-GMSGAONNSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-5-8(13)3-4-9(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 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol?
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-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 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol is sourced from PubChem (CID 130650619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).