2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline

C11H18N2O — CID 115413765

IUPAC2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
SMILESCCN(C)Cc1cc(OC)ccc1N
InChIInChI=1S/C11H18N2O/c1-4-13(2)8-9-7-10(14-3)5-6-11(9)12/h5-7H,4,8,12H2,1-3H3
InChIKeyUWLNPKGJMKVVKF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.73
Rot. Bonds4

About 2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline

2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline (PubChem CID 115413765) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline.

Molecular Properties

Compound Name2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
PubChem CID115413765
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
SMILESCCN(C)Cc1cc(OC)ccc1N
InChIInChI=1S/C11H18N2O/c1-4-13(2)8-9-7-10(14-3)5-6-11(9)12/h5-7H,4,8,12H2,1-3H3
InChIKeyUWLNPKGJMKVVKF-UHFFFAOYSA-N
XLogP1.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-amino-5-methoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 115414152
4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 113305256
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 113305265
4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
CID 82977818
2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine
CID 65323306
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189509
4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline
CID 125458342
4-methoxy-2-(pyridin-4-ylmethyl)aniline
CID 105467827

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline?
The IUPAC name of 2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline (CID 115413765) is 2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline.
What is the SMILES notation for 2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline?
The canonical SMILES for 2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline is CCN(C)Cc1cc(OC)ccc1N.
What is the InChIKey of 2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline?
The InChIKey is UWLNPKGJMKVVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-13(2)8-9-7-10(14-3)5-6-11(9)12/h5-7H,4,8,12H2,1-3H3.
What are the key properties of 2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline?
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline has a molecular weight of 194.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline is sourced from PubChem (CID 115413765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).