3-[(2-amino-4-methoxyphenyl)methyl]phenol

C14H15NO2 — CID 105486633

IUPAC3-[(2-amino-4-methoxyphenyl)methyl]phenol
SMILESCOc1ccc(Cc2cccc(O)c2)c(N)c1
InChIInChI=1S/C14H15NO2/c1-17-13-6-5-11(14(15)9-13)7-10-3-2-4-12(16)8-10/h2-6,8-9,16H,7,15H2,1H3
InChIKeyPDVMQDKWSCEBFF-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.57
Rot. Bonds3

About 3-[(2-amino-4-methoxyphenyl)methyl]phenol

3-[(2-amino-4-methoxyphenyl)methyl]phenol (PubChem CID 105486633) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[(2-amino-4-methoxyphenyl)methyl]phenol.

Molecular Properties

Compound Name3-[(2-amino-4-methoxyphenyl)methyl]phenol
PubChem CID105486633
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-[(2-amino-4-methoxyphenyl)methyl]phenol
SMILESCOc1ccc(Cc2cccc(O)c2)c(N)c1
InChIInChI=1S/C14H15NO2/c1-17-13-6-5-11(14(15)9-13)7-10-3-2-4-12(16)8-10/h2-6,8-9,16H,7,15H2,1H3
InChIKeyPDVMQDKWSCEBFF-UHFFFAOYSA-N
XLogP2.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-5-methoxyaniline;ethane
CID 142463807
N-(2-amino-5-methoxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 63257743
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
(2-amino-4-methoxyphenyl)methanesulfonic acid
CID 154180225
1-(2-amino-4-methoxyphenyl)-3-bromopropan-2-one
CID 118826696
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
4-[(3-hydroxyphenyl)methyl]benzene-1,2,3-triol
CID 139940610
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline
CID 154647621

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-methoxyphenyl)methyl]phenol?
The IUPAC name of 3-[(2-amino-4-methoxyphenyl)methyl]phenol (CID 105486633) is 3-[(2-amino-4-methoxyphenyl)methyl]phenol.
What is the SMILES notation for 3-[(2-amino-4-methoxyphenyl)methyl]phenol?
The canonical SMILES for 3-[(2-amino-4-methoxyphenyl)methyl]phenol is COc1ccc(Cc2cccc(O)c2)c(N)c1.
What is the InChIKey of 3-[(2-amino-4-methoxyphenyl)methyl]phenol?
The InChIKey is PDVMQDKWSCEBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-13-6-5-11(14(15)9-13)7-10-3-2-4-12(16)8-10/h2-6,8-9,16H,7,15H2,1H3.
What are the key properties of 3-[(2-amino-4-methoxyphenyl)methyl]phenol?
3-[(2-amino-4-methoxyphenyl)methyl]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-methoxyphenyl)methyl]phenol is sourced from PubChem (CID 105486633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).