2-(3-methylanilino)octan-1-ol

C15H25NO — CID 61049186

IUPAC2-(3-methylanilino)octan-1-ol
SMILESCCCCCCC(CO)Nc1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-3-4-5-6-9-15(12-17)16-14-10-7-8-13(2)11-14/h7-8,10-11,15-17H,3-6,9,12H2,1-2H3
InChIKeyLCAGGSJTENAJHR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.74
Rot. Bonds8

About 2-(3-methylanilino)octan-1-ol

2-(3-methylanilino)octan-1-ol (PubChem CID 61049186) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(3-methylanilino)octan-1-ol.

Molecular Properties

Compound Name2-(3-methylanilino)octan-1-ol
PubChem CID61049186
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(3-methylanilino)octan-1-ol
SMILESCCCCCCC(CO)Nc1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-3-4-5-6-9-15(12-17)16-14-10-7-8-13(2)11-14/h7-8,10-11,15-17H,3-6,9,12H2,1-2H3
InChIKeyLCAGGSJTENAJHR-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-anilinooctan-1-ol
CID 135056963
2-(3-methylanilino)-4-methylsulfanylbutan-1-ol
CID 61048388
2-(3-methylanilino)heptanoic acid
CID 54890661
2-(2-bromoanilino)octan-1-ol
CID 61050635
2-(3-methylphenyl)undecan-1-ol
CID 79417930
1-(3-methylphenyl)undecan-2-ylhydrazine
CID 105208921
N-tridecan-6-ylaniline
CID 151143089
CID 174010582
CID 174010582
(4R)-4-(3-methylanilino)pentan-1-ol
CID 94830689
4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol
CID 106676183
N-(3-methylphenyl)-2-nitrosodecanamide
CID 54279753
1-(3-methylphenyl)decan-1-ol
CID 63411280

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)octan-1-ol?
The IUPAC name of 2-(3-methylanilino)octan-1-ol (CID 61049186) is 2-(3-methylanilino)octan-1-ol.
What is the SMILES notation for 2-(3-methylanilino)octan-1-ol?
The canonical SMILES for 2-(3-methylanilino)octan-1-ol is CCCCCCC(CO)Nc1cccc(C)c1.
What is the InChIKey of 2-(3-methylanilino)octan-1-ol?
The InChIKey is LCAGGSJTENAJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-5-6-9-15(12-17)16-14-10-7-8-13(2)11-14/h7-8,10-11,15-17H,3-6,9,12H2,1-2H3.
What are the key properties of 2-(3-methylanilino)octan-1-ol?
2-(3-methylanilino)octan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)octan-1-ol is sourced from PubChem (CID 61049186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).