3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline

C18H24N2O — CID 81146090

IUPAC3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline
SMILESCCN(Cc1cc(N)cc(OC)c1)Cc1ccccc1C
InChIInChI=1S/C18H24N2O/c1-4-20(13-16-8-6-5-7-14(16)2)12-15-9-17(19)11-18(10-15)21-3/h5-11H,4,12-13,19H2,1-3H3
InChIKeyRPKSVRMCIMJYIR-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.61
Rot. Bonds6

About 3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline

3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline (PubChem CID 81146090) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline.

Molecular Properties

Compound Name3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline
PubChem CID81146090
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline
SMILESCCN(Cc1cc(N)cc(OC)c1)Cc1ccccc1C
InChIInChI=1S/C18H24N2O/c1-4-20(13-16-8-6-5-7-14(16)2)12-15-9-17(19)11-18(10-15)21-3/h5-11H,4,12-13,19H2,1-3H3
InChIKeyRPKSVRMCIMJYIR-UHFFFAOYSA-N
XLogP3.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.61
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

4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 43458817
N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 783617
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
CID 43459109
2-bromo-5-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 115557039
N'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991518
3-[(dibutylamino)methyl]-5-methoxyaniline
CID 81149053
2-[(3-amino-5-methoxyphenyl)methyl-ethylamino]-N-methylacetamide
CID 81149931
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 81150368
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 43588378
5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 80725020
3-methoxy-5-[[methyl(pentan-3-yl)amino]methyl]aniline
CID 81149781

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline?
The IUPAC name of 3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline (CID 81146090) is 3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline.
What is the SMILES notation for 3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline?
The canonical SMILES for 3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline is CCN(Cc1cc(N)cc(OC)c1)Cc1ccccc1C.
What is the InChIKey of 3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline?
The InChIKey is RPKSVRMCIMJYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-20(13-16-8-6-5-7-14(16)2)12-15-9-17(19)11-18(10-15)21-3/h5-11H,4,12-13,19H2,1-3H3.
What are the key properties of 3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline?
3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline has a molecular weight of 284.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline is sourced from PubChem (CID 81146090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).