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

C15H17NO2 — CID 43771044

IUPAC3-[(4-methoxy-3-methylphenyl)methylamino]phenol
SMILESCOc1ccc(CNc2cccc(O)c2)cc1C
InChIInChI=1S/C15H17NO2/c1-11-8-12(6-7-15(11)18-2)10-16-13-4-3-5-14(17)9-13/h3-9,16-17H,10H2,1-2H3
InChIKeyVWLDHAWDOPTVDL-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.32
Rot. Bonds4

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

3-[(4-methoxy-3-methylphenyl)methylamino]phenol (PubChem CID 43771044) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(4-methoxy-3-methylphenyl)methylamino]phenol.

Molecular Properties

Compound Name3-[(4-methoxy-3-methylphenyl)methylamino]phenol
PubChem CID43771044
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-[(4-methoxy-3-methylphenyl)methylamino]phenol
SMILESCOc1ccc(CNc2cccc(O)c2)cc1C
InChIInChI=1S/C15H17NO2/c1-11-8-12(6-7-15(11)18-2)10-16-13-4-3-5-14(17)9-13/h3-9,16-17H,10H2,1-2H3
InChIKeyVWLDHAWDOPTVDL-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

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Related Compounds

4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43762883
3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
CID 28722983
N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline
CID 43769003
N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 43758496
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
3-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 43380515
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol
CID 28722263
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759194

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3-methylphenyl)methylamino]phenol?
The IUPAC name of 3-[(4-methoxy-3-methylphenyl)methylamino]phenol (CID 43771044) is 3-[(4-methoxy-3-methylphenyl)methylamino]phenol.
What is the SMILES notation for 3-[(4-methoxy-3-methylphenyl)methylamino]phenol?
The canonical SMILES for 3-[(4-methoxy-3-methylphenyl)methylamino]phenol is COc1ccc(CNc2cccc(O)c2)cc1C.
What is the InChIKey of 3-[(4-methoxy-3-methylphenyl)methylamino]phenol?
The InChIKey is VWLDHAWDOPTVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-8-12(6-7-15(11)18-2)10-16-13-4-3-5-14(17)9-13/h3-9,16-17H,10H2,1-2H3.
What are the key properties of 3-[(4-methoxy-3-methylphenyl)methylamino]phenol?
3-[(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 3-[(4-methoxy-3-methylphenyl)methylamino]phenol is sourced from PubChem (CID 43771044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).