3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol

C18H23NO2 — CID 115952789

IUPAC3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol
SMILESCCCNCc1cccc(C)c1OCc1cccc(O)c1
InChIInChI=1S/C18H23NO2/c1-3-10-19-12-16-8-4-6-14(2)18(16)21-13-15-7-5-9-17(20)11-15/h4-9,11,19-20H,3,10,12-13H2,1-2H3
InChIKeyVYRAKYRZAOSESI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.78
Rot. Bonds7

About 3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol

3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol (PubChem CID 115952789) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol.

Molecular Properties

Compound Name3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol
PubChem CID115952789
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol
SMILESCCCNCc1cccc(C)c1OCc1cccc(O)c1
InChIInChI=1S/C18H23NO2/c1-3-10-19-12-16-8-4-6-14(2)18(16)21-13-15-7-5-9-17(20)11-15/h4-9,11,19-20H,3,10,12-13H2,1-2H3
InChIKeyVYRAKYRZAOSESI-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.78
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

N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 112609224
3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
CID 112607358
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
N-[[3-bromo-2-[(3-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63499383
3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol
CID 167826049
3-(propylaminomethyl)phenol
CID 10725714
3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol
CID 107695916
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114492299
2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine
CID 112610278
N-[[2-[(5-bromothiophen-2-yl)methoxy]-3-methylphenyl]methyl]propan-1-amine
CID 115952833
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
1-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 115952861

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol?
The IUPAC name of 3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol (CID 115952789) is 3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol.
What is the SMILES notation for 3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol?
The canonical SMILES for 3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol is CCCNCc1cccc(C)c1OCc1cccc(O)c1.
What is the InChIKey of 3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol?
The InChIKey is VYRAKYRZAOSESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-10-19-12-16-8-4-6-14(2)18(16)21-13-15-7-5-9-17(20)11-15/h4-9,11,19-20H,3,10,12-13H2,1-2H3.
What are the key properties of 3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol?
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol is sourced from PubChem (CID 115952789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).