4-amino-2-[(3,4-dimethylanilino)methyl]phenol

C15H18N2O — CID 18533660

IUPAC4-amino-2-[(3,4-dimethylanilino)methyl]phenol
SMILESCc1ccc(NCc2cc(N)ccc2O)cc1C
InChIInChI=1S/C15H18N2O/c1-10-3-5-14(7-11(10)2)17-9-12-8-13(16)4-6-15(12)18/h3-8,17-18H,9,16H2,1-2H3
InChIKeyHXOIINCMQFHPPG-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.20
Rot. Bonds3

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

4-amino-2-[(3,4-dimethylanilino)methyl]phenol (PubChem CID 18533660) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-2-[(3,4-dimethylanilino)methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[(3,4-dimethylanilino)methyl]phenol
PubChem CID18533660
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-amino-2-[(3,4-dimethylanilino)methyl]phenol
SMILESCc1ccc(NCc2cc(N)ccc2O)cc1C
InChIInChI=1S/C15H18N2O/c1-10-3-5-14(7-11(10)2)17-9-12-8-13(16)4-6-15(12)18/h3-8,17-18H,9,16H2,1-2H3
InChIKeyHXOIINCMQFHPPG-UHFFFAOYSA-N
XLogP3.20
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[(3,4-dimethylanilino)methyl]-4-methylphenol
CID 63323211
4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide
CID 60874735
4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol
CID 70009939
4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide
CID 107281125
4-amino-2-[(3,4-dimethylphenyl)sulfanylmethyl]phenol
CID 43377168
4-amino-2-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol
CID 62960195
2-[(5-amino-2-hydroxyphenyl)methylamino]-3-methylbenzonitrile
CID 107110143
4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol
CID 153328752
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
4-methyl-2-[(3-methyl-4-nitroanilino)methyl]phenol
CID 63324660
2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol
CID 64795397
4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol
CID 23437250

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3,4-dimethylanilino)methyl]phenol?
The IUPAC name of 4-amino-2-[(3,4-dimethylanilino)methyl]phenol (CID 18533660) is 4-amino-2-[(3,4-dimethylanilino)methyl]phenol.
What is the SMILES notation for 4-amino-2-[(3,4-dimethylanilino)methyl]phenol?
The canonical SMILES for 4-amino-2-[(3,4-dimethylanilino)methyl]phenol is Cc1ccc(NCc2cc(N)ccc2O)cc1C.
What is the InChIKey of 4-amino-2-[(3,4-dimethylanilino)methyl]phenol?
The InChIKey is HXOIINCMQFHPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-3-5-14(7-11(10)2)17-9-12-8-13(16)4-6-15(12)18/h3-8,17-18H,9,16H2,1-2H3.
What are the key properties of 4-amino-2-[(3,4-dimethylanilino)methyl]phenol?
4-amino-2-[(3,4-dimethylanilino)methyl]phenol has a molecular weight of 242.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3,4-dimethylanilino)methyl]phenol is sourced from PubChem (CID 18533660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).