N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline

C13H21NO2 — CID 83961358

IUPACN-(2-methoxyethyl)-3-(2-methylpropoxy)aniline
SMILESCOCCNc1cccc(OCC(C)C)c1
InChIInChI=1S/C13H21NO2/c1-11(2)10-16-13-6-4-5-12(9-13)14-7-8-15-3/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyGYXZQBWRCLPYQF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.78
Rot. Bonds7

About N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline

N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline (PubChem CID 83961358) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methylpropoxy)aniline
PubChem CID83961358
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(2-methoxyethyl)-3-(2-methylpropoxy)aniline
SMILESCOCCNc1cccc(OCC(C)C)c1
InChIInChI=1S/C13H21NO2/c1-11(2)10-16-13-6-4-5-12(9-13)14-7-8-15-3/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyGYXZQBWRCLPYQF-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(2-methylpropoxy)aniline
CID 54800101
N'-butan-2-yl-N-[3-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808411
3-(2-methylpropoxy)-N-(3-methylsulfanylpropyl)aniline
CID 54864413
(1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine
CID 100557587
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
N'-(2-ethyl-6-methylphenyl)-N-[3-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54810109
N-[(4-chlorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 54800055
N-[2-(4-tert-butylphenoxy)ethyl]-3-(2-methoxyethoxy)aniline
CID 54803038
N'-[3-(2-methylpropoxy)phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54808556
1-[3-(2-methoxyethylamino)phenyl]ethanol
CID 83962984

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline (CID 83961358) is N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline is COCCNc1cccc(OCC(C)C)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline?
The InChIKey is GYXZQBWRCLPYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(2)10-16-13-6-4-5-12(9-13)14-7-8-15-3/h4-6,9,11,14H,7-8,10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline?
N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline has a molecular weight of 223.32 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline is sourced from PubChem (CID 83961358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).