2-(3-methoxyanilino)-2-methylheptan-1-ol

C15H25NO2 — CID 80558936

IUPAC2-(3-methoxyanilino)-2-methylheptan-1-ol
SMILESCCCCCC(C)(CO)Nc1cccc(OC)c1
InChIInChI=1S/C15H25NO2/c1-4-5-6-10-15(2,12-17)16-13-8-7-9-14(11-13)18-3/h7-9,11,16-17H,4-6,10,12H2,1-3H3
InChIKeyZPSBPEUTRLFXNF-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.44
Rot. Bonds8

About 2-(3-methoxyanilino)-2-methylheptan-1-ol

2-(3-methoxyanilino)-2-methylheptan-1-ol (PubChem CID 80558936) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-methylheptan-1-ol.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-methylheptan-1-ol
PubChem CID80558936
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(3-methoxyanilino)-2-methylheptan-1-ol
SMILESCCCCCC(C)(CO)Nc1cccc(OC)c1
InChIInChI=1S/C15H25NO2/c1-4-5-6-10-15(2,12-17)16-13-8-7-9-14(11-13)18-3/h7-9,11,16-17H,4-6,10,12H2,1-3H3
InChIKeyZPSBPEUTRLFXNF-UHFFFAOYSA-N
XLogP3.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromoanilino)-2-methylnonan-1-ol
CID 55198657
4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol
CID 61050466
2-(3-methoxyanilino)-2-methyloctanamide
CID 61005310
2-(2-methoxyanilino)-2-methylnonan-1-ol
CID 61050086
N-hexyl-3-methoxyaniline
CID 15500485
2-ethyl-2-(3-methoxyanilino)hexanamide
CID 63953655
2-(3-bromoanilino)-2-methylpentan-1-ol
CID 61047859
5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790325
2-anilino-2-methylpentan-1-ol
CID 61046243
2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine
CID 65377532
2-anilino-4-(4-methoxyphenyl)-2-methylbutan-1-ol
CID 61047503
2-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 114079942

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-methylheptan-1-ol?
The IUPAC name of 2-(3-methoxyanilino)-2-methylheptan-1-ol (CID 80558936) is 2-(3-methoxyanilino)-2-methylheptan-1-ol.
What is the SMILES notation for 2-(3-methoxyanilino)-2-methylheptan-1-ol?
The canonical SMILES for 2-(3-methoxyanilino)-2-methylheptan-1-ol is CCCCCC(C)(CO)Nc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-methylheptan-1-ol?
The InChIKey is ZPSBPEUTRLFXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-5-6-10-15(2,12-17)16-13-8-7-9-14(11-13)18-3/h7-9,11,16-17H,4-6,10,12H2,1-3H3.
What are the key properties of 2-(3-methoxyanilino)-2-methylheptan-1-ol?
2-(3-methoxyanilino)-2-methylheptan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-methylheptan-1-ol is sourced from PubChem (CID 80558936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).