4-(1-amino-3-hydroxypropyl)-2-methylphenol

C10H15NO2 — CID 55282245

IUPAC4-(1-amino-3-hydroxypropyl)-2-methylphenol
SMILESCc1cc(C(N)CCO)ccc1O
InChIInChI=1S/C10H15NO2/c1-7-6-8(2-3-10(7)13)9(11)4-5-12/h2-3,6,9,12-13H,4-5,11H2,1H3
InChIKeyJVHWKEOHSALHQY-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.08
Rot. Bonds3

About 4-(1-amino-3-hydroxypropyl)-2-methylphenol

4-(1-amino-3-hydroxypropyl)-2-methylphenol (PubChem CID 55282245) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(1-amino-3-hydroxypropyl)-2-methylphenol.

Molecular Properties

Compound Name4-(1-amino-3-hydroxypropyl)-2-methylphenol
PubChem CID55282245
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-(1-amino-3-hydroxypropyl)-2-methylphenol
SMILESCc1cc(C(N)CCO)ccc1O
InChIInChI=1S/C10H15NO2/c1-7-6-8(2-3-10(7)13)9(11)4-5-12/h2-3,6,9,12-13H,4-5,11H2,1H3
InChIKeyJVHWKEOHSALHQY-UHFFFAOYSA-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

4-[(1S)-1-aminopentyl]-2-methylphenol
CID 171145513
4-[(1S)-1,2-diaminoethyl]-2-methylphenol;hydrochloride
CID 171213095
4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
CID 130691653
(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
CID 55265729
4-[(1R)-1-amino-3-hydroxypropyl]-2-methylbenzonitrile
CID 55270566
5-(1-amino-3-hydroxypropyl)-2-iodophenol
CID 131028751
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-methylphenol
CID 131361575
5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride
CID 170874902
5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
CID 55270722
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
4-(1-amino-2-cyclopropylethyl)-2-methylphenol
CID 55297167
4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol
CID 131128288

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-hydroxypropyl)-2-methylphenol?
The IUPAC name of 4-(1-amino-3-hydroxypropyl)-2-methylphenol (CID 55282245) is 4-(1-amino-3-hydroxypropyl)-2-methylphenol.
What is the SMILES notation for 4-(1-amino-3-hydroxypropyl)-2-methylphenol?
The canonical SMILES for 4-(1-amino-3-hydroxypropyl)-2-methylphenol is Cc1cc(C(N)CCO)ccc1O.
What is the InChIKey of 4-(1-amino-3-hydroxypropyl)-2-methylphenol?
The InChIKey is JVHWKEOHSALHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-6-8(2-3-10(7)13)9(11)4-5-12/h2-3,6,9,12-13H,4-5,11H2,1H3.
What are the key properties of 4-(1-amino-3-hydroxypropyl)-2-methylphenol?
4-(1-amino-3-hydroxypropyl)-2-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 4-(1-amino-3-hydroxypropyl)-2-methylphenol is sourced from PubChem (CID 55282245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).