2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol

C10H15NO2 — CID 96744848

IUPAC2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol
SMILESCc1ccc([C@H](O)CCN)c(O)c1
InChIInChI=1S/C10H15NO2/c1-7-2-3-8(10(13)6-7)9(12)4-5-11/h2-3,6,9,12-13H,4-5,11H2,1H3/t9-/m1/s1
InChIKeyCUHSWFZBNIGFAS-SECBINFHSA-N
MW181.24 g/mol
LogP1.08
Rot. Bonds3

About 2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol

2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol (PubChem CID 96744848) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol.

Molecular Properties

Compound Name2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol
PubChem CID96744848
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol
SMILESCc1ccc([C@H](O)CCN)c(O)c1
InChIInChI=1S/C10H15NO2/c1-7-2-3-8(10(13)6-7)9(12)4-5-11/h2-3,6,9,12-13H,4-5,11H2,1H3/t9-/m1/s1
InChIKeyCUHSWFZBNIGFAS-SECBINFHSA-N
XLogP1.08
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
2-[(1R)-1,4-diaminobutyl]-5-methylphenol;hydrochloride
CID 171212396
2-(3-amino-1-hydroxypropyl)-5-methoxyphenol
CID 82606953
2-[(1S)-1,2-diaminoethyl]-5-methylphenol
CID 55278369
3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol
CID 81116743
3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol
CID 170827678
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
2-[(1S)-1-aminobutyl]-5-methylphenol;hydrochloride
CID 171232006
2-[(1R)-1,3-diaminopropyl]-4-methylphenol
CID 130972220
2-[(1R)-1-amino-4-hydroxybutyl]-5-methylphenol;hydrochloride
CID 171212431
2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol
CID 55293424
2-[(1R)-1-amino-3-methylbutyl]-5-methylphenol;hydrochloride
CID 171212407

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol?
The IUPAC name of 2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol (CID 96744848) is 2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol.
What is the SMILES notation for 2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol?
The canonical SMILES for 2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol is Cc1ccc([C@H](O)CCN)c(O)c1.
What is the InChIKey of 2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol?
The InChIKey is CUHSWFZBNIGFAS-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-2-3-8(10(13)6-7)9(12)4-5-11/h2-3,6,9,12-13H,4-5,11H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol?
2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol has a molecular weight of 181.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol is sourced from PubChem (CID 96744848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).