2-(4-methoxyanilino)-2-phenylpentan-1-ol

C18H23NO2 — CID 61045133

IUPAC2-(4-methoxyanilino)-2-phenylpentan-1-ol
SMILESCCCC(CO)(Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-3-13-18(14-20,15-7-5-4-6-8-15)19-16-9-11-17(21-2)12-10-16/h4-12,19-20H,3,13-14H2,1-2H3
InChIKeyXAIRFYNHMYPNNW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.80
Rot. Bonds7

About 2-(4-methoxyanilino)-2-phenylpentan-1-ol

2-(4-methoxyanilino)-2-phenylpentan-1-ol (PubChem CID 61045133) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-2-phenylpentan-1-ol.

Molecular Properties

Compound Name2-(4-methoxyanilino)-2-phenylpentan-1-ol
PubChem CID61045133
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(4-methoxyanilino)-2-phenylpentan-1-ol
SMILESCCCC(CO)(Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-3-13-18(14-20,15-7-5-4-6-8-15)19-16-9-11-17(21-2)12-10-16/h4-12,19-20H,3,13-14H2,1-2H3
InChIKeyXAIRFYNHMYPNNW-UHFFFAOYSA-N
XLogP3.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyanilino)-2-phenylbutan-1-ol
CID 61045130
2-(4-methoxyanilino)-1,1-diphenylethanol
CID 101160453
2-(4-methoxyanilino)-2-methyl-4-phenylbutan-1-ol
CID 61045480
methyl 2-(4-methoxyanilino)-2-methylpentanoate
CID 54890065
2-anilino-4-(4-methoxyphenyl)-2-methylbutan-1-ol
CID 61047503
2-[bis(4-methoxyphenyl)-phenylmethyl]-2-(butylamino)propane-1,3-diol
CID 70653645
2-(4-methoxyanilino)-2-methylpentanamide
CID 54889125
4-[[(4-methoxyphenyl)-diphenylmethyl]amino]benzoic acid
CID 13008997
3-[(1R)-1-(4-methoxyanilino)-1-phenylbutyl]cyclohexan-1-one
CID 122230426
2-(4-methoxyanilino)-2-methylpentanenitrile
CID 60988166
2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol
CID 63428353
ethyl 2-(4-methoxyanilino)-2-propylpentanoate
CID 60991340

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-2-phenylpentan-1-ol?
The IUPAC name of 2-(4-methoxyanilino)-2-phenylpentan-1-ol (CID 61045133) is 2-(4-methoxyanilino)-2-phenylpentan-1-ol.
What is the SMILES notation for 2-(4-methoxyanilino)-2-phenylpentan-1-ol?
The canonical SMILES for 2-(4-methoxyanilino)-2-phenylpentan-1-ol is CCCC(CO)(Nc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 2-(4-methoxyanilino)-2-phenylpentan-1-ol?
The InChIKey is XAIRFYNHMYPNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-13-18(14-20,15-7-5-4-6-8-15)19-16-9-11-17(21-2)12-10-16/h4-12,19-20H,3,13-14H2,1-2H3.
What are the key properties of 2-(4-methoxyanilino)-2-phenylpentan-1-ol?
2-(4-methoxyanilino)-2-phenylpentan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-2-phenylpentan-1-ol is sourced from PubChem (CID 61045133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).