4-[3-(5-methylhexylamino)butyl]phenol

C17H29NO — CID 115324450

IUPAC4-[3-(5-methylhexylamino)butyl]phenol
SMILESCC(C)CCCCNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C17H29NO/c1-14(2)6-4-5-13-18-15(3)7-8-16-9-11-17(19)12-10-16/h9-12,14-15,18-19H,4-8,13H2,1-3H3
InChIKeyMCARSJFOOZENSM-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.13
Rot. Bonds9

About 4-[3-(5-methylhexylamino)butyl]phenol

4-[3-(5-methylhexylamino)butyl]phenol (PubChem CID 115324450) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-[3-(5-methylhexylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(5-methylhexylamino)butyl]phenol
PubChem CID115324450
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-[3-(5-methylhexylamino)butyl]phenol
SMILESCC(C)CCCCNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C17H29NO/c1-14(2)6-4-5-13-18-15(3)7-8-16-9-11-17(19)12-10-16/h9-12,14-15,18-19H,4-8,13H2,1-3H3
InChIKeyMCARSJFOOZENSM-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[3-(5-methylhexylamino)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-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-(4-propan-2-yloxybutylamino)butyl]phenol
CID 104862569
4-[4-(4-hydroxyphenyl)butan-2-ylamino]butanoic acid
CID 54920474
4-[3-(3-propoxypropylamino)butyl]phenol
CID 82941031
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-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342
4-(6,10,14-trimethylpentadecyl)phenol
CID 152684433
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methylhexylamino)butyl]phenol?
The IUPAC name of 4-[3-(5-methylhexylamino)butyl]phenol (CID 115324450) is 4-[3-(5-methylhexylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(5-methylhexylamino)butyl]phenol?
The canonical SMILES for 4-[3-(5-methylhexylamino)butyl]phenol is CC(C)CCCCNC(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-(5-methylhexylamino)butyl]phenol?
The InChIKey is MCARSJFOOZENSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)6-4-5-13-18-15(3)7-8-16-9-11-17(19)12-10-16/h9-12,14-15,18-19H,4-8,13H2,1-3H3.
What are the key properties of 4-[3-(5-methylhexylamino)butyl]phenol?
4-[3-(5-methylhexylamino)butyl]phenol has a molecular weight of 263.43 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methylhexylamino)butyl]phenol is sourced from PubChem (CID 115324450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).