5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline

C15H26N2O2 — CID 82183913

IUPAC5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline
SMILESCCN(Cc1cc(N)c(OC)c(OC)c1)C(C)(C)C
InChIInChI=1S/C15H26N2O2/c1-7-17(15(2,3)4)10-11-8-12(16)14(19-6)13(9-11)18-5/h8-9H,7,10,16H2,1-6H3
InChIKeyNDOCNPCANAXADD-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.91
Rot. Bonds5

About 5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline

5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline (PubChem CID 82183913) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline.

Molecular Properties

Compound Name5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline
PubChem CID82183913
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline
SMILESCCN(Cc1cc(N)c(OC)c(OC)c1)C(C)(C)C
InChIInChI=1S/C15H26N2O2/c1-7-17(15(2,3)4)10-11-8-12(16)14(19-6)13(9-11)18-5/h8-9H,7,10,16H2,1-6H3
InChIKeyNDOCNPCANAXADD-UHFFFAOYSA-N
XLogP2.91
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline
CID 82183962
ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
CID 59324566
3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide
CID 82070872
2,3-dimethoxy-5-(5-phenylpentyl)aniline
CID 71371223
2,3-dimethoxy-5-methylaniline
CID 14263216
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 3537775
[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
CID 115229222
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 117044084
1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79384589
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
CID 10939314
5-ethenyl-2,3-dimethoxyaniline
CID 14166975

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline?
The IUPAC name of 5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline (CID 82183913) is 5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline.
What is the SMILES notation for 5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline?
The canonical SMILES for 5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline is CCN(Cc1cc(N)c(OC)c(OC)c1)C(C)(C)C.
What is the InChIKey of 5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline?
The InChIKey is NDOCNPCANAXADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-7-17(15(2,3)4)10-11-8-12(16)14(19-6)13(9-11)18-5/h8-9H,7,10,16H2,1-6H3.
What are the key properties of 5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline?
5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline has a molecular weight of 266.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(ethyl)amino]methyl]-2,3-dimethoxyaniline is sourced from PubChem (CID 82183913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).