1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol

C13H21NO2 — CID 174850544

IUPAC1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol
SMILESCc1ccc(CC(C)O)c(N)c1CC(C)O
InChIInChI=1S/C13H21NO2/c1-8-4-5-11(6-9(2)15)13(14)12(8)7-10(3)16/h4-5,9-10,15-16H,6-7,14H2,1-3H3
InChIKeyRQYDPHULJMCWFN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.42
Rot. Bonds4

About 1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol

1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol (PubChem CID 174850544) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol
PubChem CID174850544
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol
SMILESCc1ccc(CC(C)O)c(N)c1CC(C)O
InChIInChI=1S/C13H21NO2/c1-8-4-5-11(6-9(2)15)13(14)12(8)7-10(3)16/h4-5,9-10,15-16H,6-7,14H2,1-3H3
InChIKeyRQYDPHULJMCWFN-UHFFFAOYSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol?
The IUPAC name of 1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol (CID 174850544) is 1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol.
What is the SMILES notation for 1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol?
The canonical SMILES for 1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol is Cc1ccc(CC(C)O)c(N)c1CC(C)O.
What is the InChIKey of 1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol?
The InChIKey is RQYDPHULJMCWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8-4-5-11(6-9(2)15)13(14)12(8)7-10(3)16/h4-5,9-10,15-16H,6-7,14H2,1-3H3.
What are the key properties of 1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol?
1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol is sourced from PubChem (CID 174850544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).