4-[3-(4-propan-2-yloxybutylamino)butyl]phenol

C17H29NO2 — CID 104862569

IUPAC4-[3-(4-propan-2-yloxybutylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCCCCOC(C)C
InChIInChI=1S/C17H29NO2/c1-14(2)20-13-5-4-12-18-15(3)6-7-16-8-10-17(19)11-9-16/h8-11,14-15,18-19H,4-7,12-13H2,1-3H3
InChIKeyLQRIREZWRFBPIA-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.51
Rot. Bonds10

About 4-[3-(4-propan-2-yloxybutylamino)butyl]phenol

4-[3-(4-propan-2-yloxybutylamino)butyl]phenol (PubChem CID 104862569) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-[3-(4-propan-2-yloxybutylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(4-propan-2-yloxybutylamino)butyl]phenol
PubChem CID104862569
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-[3-(4-propan-2-yloxybutylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCCCCOC(C)C
InChIInChI=1S/C17H29NO2/c1-14(2)20-13-5-4-12-18-15(3)6-7-16-8-10-17(19)11-9-16/h8-11,14-15,18-19H,4-7,12-13H2,1-3H3
InChIKeyLQRIREZWRFBPIA-UHFFFAOYSA-N
XLogP3.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-(4-propan-2-yloxybutylamino)butyl]phenol 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

4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450
4-[3-(3-propoxypropylamino)butyl]phenol
CID 82941031
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[4-(4-hydroxyphenyl)butan-2-ylamino]butanoic acid
CID 54920474
4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106011750
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
hydron;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;chloride
CID 54759025
4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol
CID 104861930
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
4-[3-(2,2,3-trimethylbutylamino)butyl]phenol
CID 102673404

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propan-2-yloxybutylamino)butyl]phenol?
The IUPAC name of 4-[3-(4-propan-2-yloxybutylamino)butyl]phenol (CID 104862569) is 4-[3-(4-propan-2-yloxybutylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(4-propan-2-yloxybutylamino)butyl]phenol?
The canonical SMILES for 4-[3-(4-propan-2-yloxybutylamino)butyl]phenol is CC(CCc1ccc(O)cc1)NCCCCOC(C)C.
What is the InChIKey of 4-[3-(4-propan-2-yloxybutylamino)butyl]phenol?
The InChIKey is LQRIREZWRFBPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)20-13-5-4-12-18-15(3)6-7-16-8-10-17(19)11-9-16/h8-11,14-15,18-19H,4-7,12-13H2,1-3H3.
What are the key properties of 4-[3-(4-propan-2-yloxybutylamino)butyl]phenol?
4-[3-(4-propan-2-yloxybutylamino)butyl]phenol has a molecular weight of 279.42 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propan-2-yloxybutylamino)butyl]phenol is sourced from PubChem (CID 104862569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).