2,4-dimethoxy-N-(2-methylidenebutyl)aniline

C13H19NO2 — CID 66044244

IUPAC2,4-dimethoxy-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1ccc(OC)cc1OC
InChIInChI=1S/C13H19NO2/c1-5-10(2)9-14-12-7-6-11(15-3)8-13(12)16-4/h6-8,14H,2,5,9H2,1,3-4H3
InChIKeyHBFSDGQERBLLFH-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.08
Rot. Bonds6

About 2,4-dimethoxy-N-(2-methylidenebutyl)aniline

2,4-dimethoxy-N-(2-methylidenebutyl)aniline (PubChem CID 66044244) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(2-methylidenebutyl)aniline.

Molecular Properties

Compound Name2,4-dimethoxy-N-(2-methylidenebutyl)aniline
PubChem CID66044244
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2,4-dimethoxy-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1ccc(OC)cc1OC
InChIInChI=1S/C13H19NO2/c1-5-10(2)9-14-12-7-6-11(15-3)8-13(12)16-4/h6-8,14H,2,5,9H2,1,3-4H3
InChIKeyHBFSDGQERBLLFH-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
N-[(E)-3-chloro-2-methylprop-2-enyl]-2,4-dimethoxyaniline
CID 106437293
4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline
CID 142937914
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
CID 28570489
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide
CID 60688672
2,4-dimethoxy-N-pentylaniline
CID 28570496
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(2-methylidenebutyl)aniline?
The IUPAC name of 2,4-dimethoxy-N-(2-methylidenebutyl)aniline (CID 66044244) is 2,4-dimethoxy-N-(2-methylidenebutyl)aniline.
What is the SMILES notation for 2,4-dimethoxy-N-(2-methylidenebutyl)aniline?
The canonical SMILES for 2,4-dimethoxy-N-(2-methylidenebutyl)aniline is C=C(CC)CNc1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-N-(2-methylidenebutyl)aniline?
The InChIKey is HBFSDGQERBLLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-10(2)9-14-12-7-6-11(15-3)8-13(12)16-4/h6-8,14H,2,5,9H2,1,3-4H3.
What are the key properties of 2,4-dimethoxy-N-(2-methylidenebutyl)aniline?
2,4-dimethoxy-N-(2-methylidenebutyl)aniline has a molecular weight of 221.30 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(2-methylidenebutyl)aniline is sourced from PubChem (CID 66044244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).