3-[(dibutylamino)methyl]-5-methoxyaniline

C16H28N2O — CID 81149053

IUPAC3-[(dibutylamino)methyl]-5-methoxyaniline
SMILESCCCCN(CCCC)Cc1cc(N)cc(OC)c1
InChIInChI=1S/C16H28N2O/c1-4-6-8-18(9-7-5-2)13-14-10-15(17)12-16(11-14)19-3/h10-12H,4-9,13,17H2,1-3H3
InChIKeyNHXROEJSMYFZGU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.68
Rot. Bonds9

About 3-[(dibutylamino)methyl]-5-methoxyaniline

3-[(dibutylamino)methyl]-5-methoxyaniline (PubChem CID 81149053) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[(dibutylamino)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name3-[(dibutylamino)methyl]-5-methoxyaniline
PubChem CID81149053
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-[(dibutylamino)methyl]-5-methoxyaniline
SMILESCCCCN(CCCC)Cc1cc(N)cc(OC)c1
InChIInChI=1S/C16H28N2O/c1-4-6-8-18(9-7-5-2)13-14-10-15(17)12-16(11-14)19-3/h10-12H,4-9,13,17H2,1-3H3
InChIKeyNHXROEJSMYFZGU-UHFFFAOYSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.68
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'-[(3-amino-5-methoxyphenyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991518
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
3-methoxy-5-[[methyl(pentan-3-yl)amino]methyl]aniline
CID 81149781
3-[[butyl(ethyl)amino]methyl]-5-fluoroaniline
CID 112645909
butane;3-methoxy-5-(methoxymethyl)aniline
CID 67748962
3-methoxy-5-(pentylsulfanylmethyl)aniline
CID 107748583
3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline
CID 81146090
2-[(3-amino-5-methoxyphenyl)methyl-ethylamino]-N-methylacetamide
CID 81149931
4-[(dibutylamino)methyl]aniline;dihydrochloride
CID 90478012
3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 81146091
3-(fluoromethyl)-5-methoxyaniline
CID 90226418
4-[(3-amino-5-methoxyphenyl)methyl-methylamino]butan-2-ol
CID 113499528

Frequently Asked Questions

What is the IUPAC name of 3-[(dibutylamino)methyl]-5-methoxyaniline?
The IUPAC name of 3-[(dibutylamino)methyl]-5-methoxyaniline (CID 81149053) is 3-[(dibutylamino)methyl]-5-methoxyaniline.
What is the SMILES notation for 3-[(dibutylamino)methyl]-5-methoxyaniline?
The canonical SMILES for 3-[(dibutylamino)methyl]-5-methoxyaniline is CCCCN(CCCC)Cc1cc(N)cc(OC)c1.
What is the InChIKey of 3-[(dibutylamino)methyl]-5-methoxyaniline?
The InChIKey is NHXROEJSMYFZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-6-8-18(9-7-5-2)13-14-10-15(17)12-16(11-14)19-3/h10-12H,4-9,13,17H2,1-3H3.
What are the key properties of 3-[(dibutylamino)methyl]-5-methoxyaniline?
3-[(dibutylamino)methyl]-5-methoxyaniline has a molecular weight of 264.41 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dibutylamino)methyl]-5-methoxyaniline is sourced from PubChem (CID 81149053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).