1-amino-3-(3-methylphenoxy)propan-2-ol

C10H15NO2 — CID 6484261

IUPAC1-amino-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CN)c1
InChIInChI=1S/C10H15NO2/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h2-5,9,12H,6-7,11H2,1H3
InChIKeyNUEKYLDQIOYNLD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.69
Rot. Bonds4

About 1-amino-3-(3-methylphenoxy)propan-2-ol

1-amino-3-(3-methylphenoxy)propan-2-ol (PubChem CID 6484261) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-amino-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-methylphenoxy)propan-2-ol
PubChem CID6484261
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-amino-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CN)c1
InChIInChI=1S/C10H15NO2/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h2-5,9,12H,6-7,11H2,1H3
InChIKeyNUEKYLDQIOYNLD-UHFFFAOYSA-N
XLogP0.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(3-methylphenoxy)propan-2-ol (CID 6484261) is 1-amino-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CN)c1.
What is the InChIKey of 1-amino-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is NUEKYLDQIOYNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h2-5,9,12H,6-7,11H2,1H3.
What are the key properties of 1-amino-3-(3-methylphenoxy)propan-2-ol?
1-amino-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 181.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 6484261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).