2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol

C18H24N2O — CID 62125453

IUPAC2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(N(CCO)Cc2ccccc2)c(C)c1
InChIInChI=1S/C18H24N2O/c1-15-12-17(13-19-2)8-9-18(15)20(10-11-21)14-16-6-4-3-5-7-16/h3-9,12,19,21H,10-11,13-14H2,1-2H3
InChIKeyHBOKTWWSZMGLKC-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds7

About 2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol

2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol (PubChem CID 62125453) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
PubChem CID62125453
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(N(CCO)Cc2ccccc2)c(C)c1
InChIInChI=1S/C18H24N2O/c1-15-12-17(13-19-2)8-9-18(15)20(10-11-21)14-16-6-4-3-5-7-16/h3-9,12,19,21H,10-11,13-14H2,1-2H3
InChIKeyHBOKTWWSZMGLKC-UHFFFAOYSA-N
XLogP2.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62123664
3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol
CID 141277151
2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 60980506
2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481554
N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline
CID 84750306
2-[3-amino-4-[benzyl(2-hydroxyethyl)amino]phenyl]acetic acid
CID 165453038
2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120856
N-(cyclopropylmethyl)-2-methyl-4-(methylaminomethyl)-N-propylaniline
CID 62122570
4-[benzyl(2-hydroxyethyl)amino]-3-chlorobenzonitrile
CID 63092619
N,2-dimethyl-4-(methylaminomethyl)-N-(2-methylsulfanylethyl)aniline
CID 112662210
2-[benzyl(2-hydroxyethyl)amino]-4-bromobenzonitrile
CID 114901754
N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline
CID 62119982

Frequently Asked Questions

What is the IUPAC name of 2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol (CID 62125453) is 2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol is CNCc1ccc(N(CCO)Cc2ccccc2)c(C)c1.
What is the InChIKey of 2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol?
The InChIKey is HBOKTWWSZMGLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15-12-17(13-19-2)8-9-18(15)20(10-11-21)14-16-6-4-3-5-7-16/h3-9,12,19,21H,10-11,13-14H2,1-2H3.
What are the key properties of 2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol?
2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol has a molecular weight of 284.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol is sourced from PubChem (CID 62125453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).