4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol

C17H21NO3 — CID 43742604

IUPAC4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol
SMILESCOc1cc(CNc2ccc(O)cc2)ccc1OC(C)C
InChIInChI=1S/C17H21NO3/c1-12(2)21-16-9-4-13(10-17(16)20-3)11-18-14-5-7-15(19)8-6-14/h4-10,12,18-19H,11H2,1-3H3
InChIKeyIAEFQGQLQKPZLT-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.80
Rot. Bonds6

About 4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol

4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol (PubChem CID 43742604) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol.

Molecular Properties

Compound Name4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol
PubChem CID43742604
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol
SMILESCOc1cc(CNc2ccc(O)cc2)ccc1OC(C)C
InChIInChI=1S/C17H21NO3/c1-12(2)21-16-9-4-13(10-17(16)20-3)11-18-14-5-7-15(19)8-6-14/h4-10,12,18-19H,11H2,1-3H3
InChIKeyIAEFQGQLQKPZLT-UHFFFAOYSA-N
XLogP3.80
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline
CID 39371034
4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-tert-butyl-2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525569
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623081
1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea
CID 100667952
2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525784
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
[4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 99798871
1-methoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 115608160
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol?
The IUPAC name of 4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol (CID 43742604) is 4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol.
What is the SMILES notation for 4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol?
The canonical SMILES for 4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol is COc1cc(CNc2ccc(O)cc2)ccc1OC(C)C.
What is the InChIKey of 4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol?
The InChIKey is IAEFQGQLQKPZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)21-16-9-4-13(10-17(16)20-3)11-18-14-5-7-15(19)8-6-14/h4-10,12,18-19H,11H2,1-3H3.
What are the key properties of 4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol?
4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol is sourced from PubChem (CID 43742604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).