2-(2-methylanilino)pentan-1-ol

C12H19NO — CID 61045510

IUPAC2-(2-methylanilino)pentan-1-ol
SMILESCCCC(CO)Nc1ccccc1C
InChIInChI=1S/C12H19NO/c1-3-6-11(9-14)13-12-8-5-4-7-10(12)2/h4-5,7-8,11,13-14H,3,6,9H2,1-2H3
InChIKeyNJBKNDAOKPEATL-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.57
Rot. Bonds5

About 2-(2-methylanilino)pentan-1-ol

2-(2-methylanilino)pentan-1-ol (PubChem CID 61045510) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-methylanilino)pentan-1-ol.

Molecular Properties

Compound Name2-(2-methylanilino)pentan-1-ol
PubChem CID61045510
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-methylanilino)pentan-1-ol
SMILESCCCC(CO)Nc1ccccc1C
InChIInChI=1S/C12H19NO/c1-3-6-11(9-14)13-12-8-5-4-7-10(12)2/h4-5,7-8,11,13-14H,3,6,9H2,1-2H3
InChIKeyNJBKNDAOKPEATL-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)pentan-1-ol?
The IUPAC name of 2-(2-methylanilino)pentan-1-ol (CID 61045510) is 2-(2-methylanilino)pentan-1-ol.
What is the SMILES notation for 2-(2-methylanilino)pentan-1-ol?
The canonical SMILES for 2-(2-methylanilino)pentan-1-ol is CCCC(CO)Nc1ccccc1C.
What is the InChIKey of 2-(2-methylanilino)pentan-1-ol?
The InChIKey is NJBKNDAOKPEATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-6-11(9-14)13-12-8-5-4-7-10(12)2/h4-5,7-8,11,13-14H,3,6,9H2,1-2H3.
What are the key properties of 2-(2-methylanilino)pentan-1-ol?
2-(2-methylanilino)pentan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)pentan-1-ol is sourced from PubChem (CID 61045510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).