4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol

C20H28N2O2 — CID 22756076

IUPAC4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
SMILESOc1ccc(CNCCCCCCNCc2ccc(O)cc2)cc1
InChIInChI=1S/C20H28N2O2/c23-19-9-5-17(6-10-19)15-21-13-3-1-2-4-14-22-16-18-7-11-20(24)12-8-18/h5-12,21-24H,1-4,13-16H2
InChIKeyOROHUTAYVDUNDT-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.54
Rot. Bonds11

About 4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol

4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol (PubChem CID 22756076) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
PubChem CID22756076
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
SMILESOc1ccc(CNCCCCCCNCc2ccc(O)cc2)cc1
InChIInChI=1S/C20H28N2O2/c23-19-9-5-17(6-10-19)15-21-13-3-1-2-4-14-22-16-18-7-11-20(24)12-8-18/h5-12,21-24H,1-4,13-16H2
InChIKeyOROHUTAYVDUNDT-UHFFFAOYSA-N
XLogP3.54
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(nonadecylamino)methyl]phenol
CID 70039599
4-[(4-bromobutylamino)methyl]phenol
CID 106844801
5-[(4-hydroxyphenyl)methylamino]pentanamide
CID 106233275
4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol
CID 174549086
4-[[3-(2-chloroethoxy)propylamino]methyl]phenol
CID 106306165
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol
CID 113222790
5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile
CID 114331783
3-[(4-hydroxyphenyl)methylamino]propanamide
CID 43553347
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol?
The IUPAC name of 4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol (CID 22756076) is 4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol.
What is the SMILES notation for 4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol?
The canonical SMILES for 4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol is Oc1ccc(CNCCCCCCNCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol?
The InChIKey is OROHUTAYVDUNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19-9-5-17(6-10-19)15-21-13-3-1-2-4-14-22-16-18-7-11-20(24)12-8-18/h5-12,21-24H,1-4,13-16H2.
What are the key properties of 4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol?
4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol has a molecular weight of 328.46 g/mol, XLogP of 3.54, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol is sourced from PubChem (CID 22756076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).