3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline

C14H23NO4 — CID 116500691

IUPAC3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline
SMILESCOCC(C)CNc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H23NO4/c1-10(9-16-2)8-15-11-6-12(17-3)14(19-5)13(7-11)18-4/h6-7,10,15H,8-9H2,1-5H3
InChIKeyUFYAAIAYRVGGQL-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.41
Rot. Bonds8

About 3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline

3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline (PubChem CID 116500691) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline
PubChem CID116500691
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline
SMILESCOCC(C)CNc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H23NO4/c1-10(9-16-2)8-15-11-6-12(17-3)14(19-5)13(7-11)18-4/h6-7,10,15H,8-9H2,1-5H3
InChIKeyUFYAAIAYRVGGQL-UHFFFAOYSA-N
XLogP2.41
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 107272154
3-bromo-4-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116501354
3,4,5-trifluoro-N-(3-methoxy-2-methylpropyl)aniline
CID 116501289
3,4,5-trimethoxy-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451208
3-bromo-N-(3-methoxy-2-methylpropyl)-5-methylaniline
CID 102673341
3,5-dichloro-4-(difluoromethoxy)-N-(3-methoxy-2-methylpropyl)aniline
CID 116501176
2-(3,4,5-trimethoxyanilino)ethanol
CID 28571961
3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23880433
3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409297
3-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116500847
3-chloro-N-(3-methoxy-2-methylpropyl)-4-propan-2-yloxyaniline
CID 116501045
(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 775205

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline?
The IUPAC name of 3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline (CID 116500691) is 3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline.
What is the SMILES notation for 3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline?
The canonical SMILES for 3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline is COCC(C)CNc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline?
The InChIKey is UFYAAIAYRVGGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10(9-16-2)8-15-11-6-12(17-3)14(19-5)13(7-11)18-4/h6-7,10,15H,8-9H2,1-5H3.
What are the key properties of 3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline?
3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline has a molecular weight of 269.34 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline is sourced from PubChem (CID 116500691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).