4-[(4-methoxy-3-methylphenyl)methylamino]phenol

C15H17NO2 — CID 43790415

IUPAC4-[(4-methoxy-3-methylphenyl)methylamino]phenol
SMILESCOc1ccc(CNc2ccc(O)cc2)cc1C
InChIInChI=1S/C15H17NO2/c1-11-9-12(3-8-15(11)18-2)10-16-13-4-6-14(17)7-5-13/h3-9,16-17H,10H2,1-2H3
InChIKeyGECCEYLRLHCHPX-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.32
Rot. Bonds4

About 4-[(4-methoxy-3-methylphenyl)methylamino]phenol

4-[(4-methoxy-3-methylphenyl)methylamino]phenol (PubChem CID 43790415) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[(4-methoxy-3-methylphenyl)methylamino]phenol.

Molecular Properties

Compound Name4-[(4-methoxy-3-methylphenyl)methylamino]phenol
PubChem CID43790415
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[(4-methoxy-3-methylphenyl)methylamino]phenol
SMILESCOc1ccc(CNc2ccc(O)cc2)cc1C
InChIInChI=1S/C15H17NO2/c1-11-9-12(3-8-15(11)18-2)10-16-13-4-6-14(17)7-5-13/h3-9,16-17H,10H2,1-2H3
InChIKeyGECCEYLRLHCHPX-UHFFFAOYSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759194
4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol
CID 43742604
4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43780458
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
3-bromo-4-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 104775863
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43762883
2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525784
N-tert-butyl-2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525569
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3-methylphenyl)methylamino]phenol?
The IUPAC name of 4-[(4-methoxy-3-methylphenyl)methylamino]phenol (CID 43790415) is 4-[(4-methoxy-3-methylphenyl)methylamino]phenol.
What is the SMILES notation for 4-[(4-methoxy-3-methylphenyl)methylamino]phenol?
The canonical SMILES for 4-[(4-methoxy-3-methylphenyl)methylamino]phenol is COc1ccc(CNc2ccc(O)cc2)cc1C.
What is the InChIKey of 4-[(4-methoxy-3-methylphenyl)methylamino]phenol?
The InChIKey is GECCEYLRLHCHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-9-12(3-8-15(11)18-2)10-16-13-4-6-14(17)7-5-13/h3-9,16-17H,10H2,1-2H3.
What are the key properties of 4-[(4-methoxy-3-methylphenyl)methylamino]phenol?
4-[(4-methoxy-3-methylphenyl)methylamino]phenol has a molecular weight of 243.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3-methylphenyl)methylamino]phenol is sourced from PubChem (CID 43790415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).