4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol

C15H18N2O2 — CID 70009939

IUPAC4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol
SMILESCOCc1cccc(NCc2cc(N)ccc2O)c1
InChIInChI=1S/C15H18N2O2/c1-19-10-11-3-2-4-14(7-11)17-9-12-8-13(16)5-6-15(12)18/h2-8,17-18H,9-10,16H2,1H3
InChIKeyVYNPDUIRIQHBHO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.73
Rot. Bonds5

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

4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol (PubChem CID 70009939) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol
PubChem CID70009939
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol
SMILESCOCc1cccc(NCc2cc(N)ccc2O)c1
InChIInChI=1S/C15H18N2O2/c1-19-10-11-3-2-4-14(7-11)17-9-12-8-13(16)5-6-15(12)18/h2-8,17-18H,9-10,16H2,1H3
InChIKeyVYNPDUIRIQHBHO-UHFFFAOYSA-N
XLogP2.73
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
CID 43672155
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
4-amino-2-[(3,4-dimethylanilino)methyl]phenol
CID 18533660
2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine
CID 66386529
2-[(3-methylanilino)methyl]benzene-1,4-diol
CID 82681028
3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328403
N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline
CID 79167544
N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
CID 104854025
3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43672260
N-(isoquinolin-4-ylmethyl)-3-(methoxymethyl)aniline
CID 115748316
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672063

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol?
The IUPAC name of 4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol (CID 70009939) is 4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol.
What is the SMILES notation for 4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol?
The canonical SMILES for 4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol is COCc1cccc(NCc2cc(N)ccc2O)c1.
What is the InChIKey of 4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol?
The InChIKey is VYNPDUIRIQHBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-10-11-3-2-4-14(7-11)17-9-12-8-13(16)5-6-15(12)18/h2-8,17-18H,9-10,16H2,1H3.
What are the key properties of 4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol?
4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol is sourced from PubChem (CID 70009939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).