3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol

C18H23NO3 — CID 82531193

IUPAC3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol
SMILESCCCOc1ccc(CNc2cccc(O)c2)cc1OCC
InChIInChI=1S/C18H23NO3/c1-3-10-22-17-9-8-14(11-18(17)21-4-2)13-19-15-6-5-7-16(20)12-15/h5-9,11-12,19-20H,3-4,10,13H2,1-2H3
InChIKeyHIICJOQHHFCZED-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.19
Rot. Bonds8

About 3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol

3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol (PubChem CID 82531193) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol.

Molecular Properties

Compound Name3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol
PubChem CID82531193
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol
SMILESCCCOc1ccc(CNc2cccc(O)c2)cc1OCC
InChIInChI=1S/C18H23NO3/c1-3-10-22-17-9-8-14(11-18(17)21-4-2)13-19-15-6-5-7-16(20)12-15/h5-9,11-12,19-20H,3-4,10,13H2,1-2H3
InChIKeyHIICJOQHHFCZED-UHFFFAOYSA-N
XLogP4.19
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
CID 28722983
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
3-[(2-propoxyanilino)methyl]phenol
CID 43682286
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline
CID 83961553
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
4-[(3-ethoxy-4-propoxyphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122126744
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 29227521
4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]benzoic acid
CID 29227556
2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 29227627

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol?
The IUPAC name of 3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol (CID 82531193) is 3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol.
What is the SMILES notation for 3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol?
The canonical SMILES for 3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol is CCCOc1ccc(CNc2cccc(O)c2)cc1OCC.
What is the InChIKey of 3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol?
The InChIKey is HIICJOQHHFCZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-10-22-17-9-8-14(11-18(17)21-4-2)13-19-15-6-5-7-16(20)12-15/h5-9,11-12,19-20H,3-4,10,13H2,1-2H3.
What are the key properties of 3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol?
3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol has a molecular weight of 301.39 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol is sourced from PubChem (CID 82531193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).