1-anilino-2-methylpentan-3-ol

C12H19NO — CID 69294698

IUPAC1-anilino-2-methylpentan-3-ol
SMILESCCC(O)C(C)CNc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-12(14)10(2)9-13-11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3
InChIKeyAVFKKBCSCLQZEA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.51
Rot. Bonds5

About 1-anilino-2-methylpentan-3-ol

1-anilino-2-methylpentan-3-ol (PubChem CID 69294698) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-anilino-2-methylpentan-3-ol.

Molecular Properties

Compound Name1-anilino-2-methylpentan-3-ol
PubChem CID69294698
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-anilino-2-methylpentan-3-ol
SMILESCCC(O)C(C)CNc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-12(14)10(2)9-13-11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3
InChIKeyAVFKKBCSCLQZEA-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-2-methylpentan-3-ol?
The IUPAC name of 1-anilino-2-methylpentan-3-ol (CID 69294698) is 1-anilino-2-methylpentan-3-ol.
What is the SMILES notation for 1-anilino-2-methylpentan-3-ol?
The canonical SMILES for 1-anilino-2-methylpentan-3-ol is CCC(O)C(C)CNc1ccccc1.
What is the InChIKey of 1-anilino-2-methylpentan-3-ol?
The InChIKey is AVFKKBCSCLQZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-12(14)10(2)9-13-11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3.
What are the key properties of 1-anilino-2-methylpentan-3-ol?
1-anilino-2-methylpentan-3-ol has a molecular weight of 193.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-2-methylpentan-3-ol is sourced from PubChem (CID 69294698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).