4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol

C20H25NO3 — CID 139998747

IUPAC4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol
SMILESCc1cc(N)cc(C)c1Oc1ccc(O)c(CCC2CCOC2)c1
InChIInChI=1S/C20H25NO3/c1-13-9-17(21)10-14(2)20(13)24-18-5-6-19(22)16(11-18)4-3-15-7-8-23-12-15/h5-6,9-11,15,22H,3-4,7-8,12,21H2,1-2H3
InChIKeyGTWAOOQMGCWIEY-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.35
Rot. Bonds5

About 4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol

4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol (PubChem CID 139998747) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol.

Molecular Properties

Compound Name4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol
PubChem CID139998747
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol
SMILESCc1cc(N)cc(C)c1Oc1ccc(O)c(CCC2CCOC2)c1
InChIInChI=1S/C20H25NO3/c1-13-9-17(21)10-14(2)20(13)24-18-5-6-19(22)16(11-18)4-3-15-7-8-23-12-15/h5-6,9-11,15,22H,3-4,7-8,12,21H2,1-2H3
InChIKeyGTWAOOQMGCWIEY-UHFFFAOYSA-N
XLogP4.35
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-[3-(2-cyclopentylethyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoate
CID 69258335
4-(4-amino-2,6-dimethylphenoxy)-2-[3-[5-(4-amino-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2,4-dicyclopentylbutyl]phenol
CID 70023317
4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol
CID 44611839
2-methyl-4-(oxolan-3-ylmethoxy)aniline
CID 61313415
5-methyl-6-(oxolan-3-ylmethoxy)pyridin-3-amine
CID 62475412
4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
CID 82732035
4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
CID 82983002
4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol
CID 70442236
3-[(2-hydroxy-5-methoxyphenyl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383777
5-methoxy-3-N-[2-(oxolan-3-yl)ethyl]benzene-1,3-diamine
CID 114129611
oxolan-3-ylmethyl 3-amino-4-hydroxybenzoate
CID 107265591
4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol
CID 141126761

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol?
The IUPAC name of 4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol (CID 139998747) is 4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol.
What is the SMILES notation for 4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol?
The canonical SMILES for 4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol is Cc1cc(N)cc(C)c1Oc1ccc(O)c(CCC2CCOC2)c1.
What is the InChIKey of 4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol?
The InChIKey is GTWAOOQMGCWIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13-9-17(21)10-14(2)20(13)24-18-5-6-19(22)16(11-18)4-3-15-7-8-23-12-15/h5-6,9-11,15,22H,3-4,7-8,12,21H2,1-2H3.
What are the key properties of 4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol?
4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol has a molecular weight of 327.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol is sourced from PubChem (CID 139998747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).