4-(3-tert-butyl-4-methoxyanilino)butan-1-ol

C15H25NO2 — CID 115217345

IUPAC4-(3-tert-butyl-4-methoxyanilino)butan-1-ol
SMILESCOc1ccc(NCCCCO)cc1C(C)(C)C
InChIInChI=1S/C15H25NO2/c1-15(2,3)13-11-12(7-8-14(13)18-4)16-9-5-6-10-17/h7-8,11,16-17H,5-6,9-10H2,1-4H3
InChIKeyUJFSMHAKDXIYOJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.18
Rot. Bonds6

About 4-(3-tert-butyl-4-methoxyanilino)butan-1-ol

4-(3-tert-butyl-4-methoxyanilino)butan-1-ol (PubChem CID 115217345) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(3-tert-butyl-4-methoxyanilino)butan-1-ol.

Molecular Properties

Compound Name4-(3-tert-butyl-4-methoxyanilino)butan-1-ol
PubChem CID115217345
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-(3-tert-butyl-4-methoxyanilino)butan-1-ol
SMILESCOc1ccc(NCCCCO)cc1C(C)(C)C
InChIInChI=1S/C15H25NO2/c1-15(2,3)13-11-12(7-8-14(13)18-4)16-9-5-6-10-17/h7-8,11,16-17H,5-6,9-10H2,1-4H3
InChIKeyUJFSMHAKDXIYOJ-UHFFFAOYSA-N
XLogP3.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-tert-butyl-4-methoxyanilino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-tert-butyl-4-methoxyanilino)propan-1-ol
CID 115216613
3-tert-butyl-N-(2-chloroethyl)-4-methoxyaniline
CID 115214568
5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
methyl 2-(3-tert-butyl-4-methoxyanilino)acetate
CID 115232645
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
4-(3-tert-butyl-4-methoxyphenyl)pentane-1,4-diol
CID 116861537
3-(4-bromo-3-methoxyanilino)propan-1-ol
CID 80526981
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
5-[3-bromo-4-(trifluoromethoxy)anilino]pentan-1-ol
CID 107336208
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
2-(3-amino-4-methoxyanilino)ethanol;hydrochloride
CID 154637919
N-(2,2-dimethylpropyl)-4-methoxy-3-(trifluoromethyl)aniline
CID 53417290

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-4-methoxyanilino)butan-1-ol?
The IUPAC name of 4-(3-tert-butyl-4-methoxyanilino)butan-1-ol (CID 115217345) is 4-(3-tert-butyl-4-methoxyanilino)butan-1-ol.
What is the SMILES notation for 4-(3-tert-butyl-4-methoxyanilino)butan-1-ol?
The canonical SMILES for 4-(3-tert-butyl-4-methoxyanilino)butan-1-ol is COc1ccc(NCCCCO)cc1C(C)(C)C.
What is the InChIKey of 4-(3-tert-butyl-4-methoxyanilino)butan-1-ol?
The InChIKey is UJFSMHAKDXIYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)13-11-12(7-8-14(13)18-4)16-9-5-6-10-17/h7-8,11,16-17H,5-6,9-10H2,1-4H3.
What are the key properties of 4-(3-tert-butyl-4-methoxyanilino)butan-1-ol?
4-(3-tert-butyl-4-methoxyanilino)butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-4-methoxyanilino)butan-1-ol is sourced from PubChem (CID 115217345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).