3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline

C15H25NO3 — CID 43758510

IUPAC3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline
SMILESCCC(Nc1cc(OC)c(OC)c(OC)c1)C(C)C
InChIInChI=1S/C15H25NO3/c1-7-12(10(2)3)16-11-8-13(17-4)15(19-6)14(9-11)18-5/h8-10,12,16H,7H2,1-6H3
InChIKeyHOWFLORLZOGJSK-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.56
Rot. Bonds7

About 3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline

3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline (PubChem CID 43758510) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline
PubChem CID43758510
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline
SMILESCCC(Nc1cc(OC)c(OC)c(OC)c1)C(C)C
InChIInChI=1S/C15H25NO3/c1-7-12(10(2)3)16-11-8-13(17-4)15(19-6)14(9-11)18-5/h8-10,12,16H,7H2,1-6H3
InChIKeyHOWFLORLZOGJSK-UHFFFAOYSA-N
XLogP3.56
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-N-(3,4,5-trimethoxyphenyl)butane-1,2-diamine
CID 115137960
4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline
CID 43785298
3-methoxy-N-(2-methylpentan-3-yl)-4-nitroaniline
CID 55232742
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine
CID 22163988
N-(1-cyclobutylpropan-2-yl)-3,4,5-trimethoxyaniline
CID 115916875
2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 114978465
N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82710078
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
3-bromo-4-ethoxy-5-methoxy-N-propan-2-ylaniline
CID 83953305
3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116500691
2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 64568461

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline?
The IUPAC name of 3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline (CID 43758510) is 3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline is CCC(Nc1cc(OC)c(OC)c(OC)c1)C(C)C.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline?
The InChIKey is HOWFLORLZOGJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-7-12(10(2)3)16-11-8-13(17-4)15(19-6)14(9-11)18-5/h8-10,12,16H,7H2,1-6H3.
What are the key properties of 3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline?
3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline has a molecular weight of 267.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline is sourced from PubChem (CID 43758510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).