1-anilino-3-methoxypropan-2-ol

C10H15NO2 — CID 3144953

IUPAC1-anilino-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccccc1
InChIInChI=1S/C10H15NO2/c1-13-8-10(12)7-11-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
InChIKeyHOTSFPXUILMJMT-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.11
Rot. Bonds5

About 1-anilino-3-methoxypropan-2-ol

1-anilino-3-methoxypropan-2-ol (PubChem CID 3144953) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-anilino-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-anilino-3-methoxypropan-2-ol
PubChem CID3144953
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-anilino-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccccc1
InChIInChI=1S/C10H15NO2/c1-13-8-10(12)7-11-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
InChIKeyHOTSFPXUILMJMT-UHFFFAOYSA-N
XLogP1.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-methoxypropan-2-ol?
The IUPAC name of 1-anilino-3-methoxypropan-2-ol (CID 3144953) is 1-anilino-3-methoxypropan-2-ol.
What is the SMILES notation for 1-anilino-3-methoxypropan-2-ol?
The canonical SMILES for 1-anilino-3-methoxypropan-2-ol is COCC(O)CNc1ccccc1.
What is the InChIKey of 1-anilino-3-methoxypropan-2-ol?
The InChIKey is HOTSFPXUILMJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-8-10(12)7-11-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3.
What are the key properties of 1-anilino-3-methoxypropan-2-ol?
1-anilino-3-methoxypropan-2-ol has a molecular weight of 181.24 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-methoxypropan-2-ol is sourced from PubChem (CID 3144953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).