1-(4-methylanilino)propan-2-ol

C10H15NO — CID 18674580

IUPAC1-(4-methylanilino)propan-2-ol
SMILESCc1ccc(NCC(C)O)cc1
InChIInChI=1S/C10H15NO/c1-8-3-5-10(6-4-8)11-7-9(2)12/h3-6,9,11-12H,7H2,1-2H3
InChIKeyORNUEAWHALNPHU-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.79
Rot. Bonds3

About 1-(4-methylanilino)propan-2-ol

1-(4-methylanilino)propan-2-ol (PubChem CID 18674580) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(4-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylanilino)propan-2-ol
PubChem CID18674580
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(4-methylanilino)propan-2-ol
SMILESCc1ccc(NCC(C)O)cc1
InChIInChI=1S/C10H15NO/c1-8-3-5-10(6-4-8)11-7-9(2)12/h3-6,9,11-12H,7H2,1-2H3
InChIKeyORNUEAWHALNPHU-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylanilino)propan-2-ol?
The IUPAC name of 1-(4-methylanilino)propan-2-ol (CID 18674580) is 1-(4-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(4-methylanilino)propan-2-ol?
The canonical SMILES for 1-(4-methylanilino)propan-2-ol is Cc1ccc(NCC(C)O)cc1.
What is the InChIKey of 1-(4-methylanilino)propan-2-ol?
The InChIKey is ORNUEAWHALNPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-3-5-10(6-4-8)11-7-9(2)12/h3-6,9,11-12H,7H2,1-2H3.
What are the key properties of 1-(4-methylanilino)propan-2-ol?
1-(4-methylanilino)propan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylanilino)propan-2-ol is sourced from PubChem (CID 18674580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).