4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol

C21H29NO2 — CID 174549086

IUPAC4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol
SMILESOc1ccc(CNCCCCCCOCCc2ccccc2)cc1
InChIInChI=1S/C21H29NO2/c23-21-12-10-20(11-13-21)18-22-15-6-1-2-7-16-24-17-14-19-8-4-3-5-9-19/h3-5,8-13,22-23H,1-2,6-7,14-18H2
InChIKeyPFRNUXSNQSFDIP-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.30
Rot. Bonds12

About 4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol

4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol (PubChem CID 174549086) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol
PubChem CID174549086
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol
SMILESOc1ccc(CNCCCCCCOCCc2ccccc2)cc1
InChIInChI=1S/C21H29NO2/c23-21-12-10-20(11-13-21)18-22-15-6-1-2-7-16-24-17-14-19-8-4-3-5-9-19/h3-5,8-13,22-23H,1-2,6-7,14-18H2
InChIKeyPFRNUXSNQSFDIP-UHFFFAOYSA-N
XLogP4.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
CID 22756076
4-[[3-(2-chloroethoxy)propylamino]methyl]phenol
CID 106306165
N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine
CID 23045269
3-[[3-(2-phenylethoxy)propylamino]methyl]benzoic acid
CID 122030496
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol
CID 113222790
N-[6-(2-phenylethoxy)hexyl]acetamide
CID 67657412
3-[3-(benzylamino)propoxymethyl]phenol
CID 114782855
1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol
CID 67817207
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
4-(2-pentoxyethyl)phenol
CID 67806399
4-[(nonadecylamino)methyl]phenol
CID 70039599

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol?
The IUPAC name of 4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol (CID 174549086) is 4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol.
What is the SMILES notation for 4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol?
The canonical SMILES for 4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol is Oc1ccc(CNCCCCCCOCCc2ccccc2)cc1.
What is the InChIKey of 4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol?
The InChIKey is PFRNUXSNQSFDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c23-21-12-10-20(11-13-21)18-22-15-6-1-2-7-16-24-17-14-19-8-4-3-5-9-19/h3-5,8-13,22-23H,1-2,6-7,14-18H2.
What are the key properties of 4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol?
4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol has a molecular weight of 327.47 g/mol, XLogP of 4.30, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-phenylethoxy)hexylamino]methyl]phenol is sourced from PubChem (CID 174549086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).