3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline

C13H21NO3 — CID 103409360

IUPAC3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
SMILESCOCCOCCCNc1cccc(OC)c1
InChIInChI=1S/C13H21NO3/c1-15-9-10-17-8-4-7-14-12-5-3-6-13(11-12)16-2/h3,5-6,11,14H,4,7-10H2,1-2H3
InChIKeyJFOZFISLFQSOJP-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.16
Rot. Bonds9

About 3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline

3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline (PubChem CID 103409360) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
PubChem CID103409360
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
SMILESCOCCOCCCNc1cccc(OC)c1
InChIInChI=1S/C13H21NO3/c1-15-9-10-17-8-4-7-14-12-5-3-6-13(11-12)16-2/h3,5-6,11,14H,4,7-10H2,1-2H3
InChIKeyJFOZFISLFQSOJP-UHFFFAOYSA-N
XLogP2.16
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline
CID 103409365
ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine
CID 156823958
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N-hexyl-3-methoxyaniline
CID 15500485
1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989238
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252
3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409297
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
3-[2-(2-methoxyethoxy)ethylamino]phenol
CID 3022408
N-(4-methoxybutyl)-3-(trifluoromethoxy)aniline
CID 112701030

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline?
The IUPAC name of 3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline (CID 103409360) is 3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline.
What is the SMILES notation for 3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline?
The canonical SMILES for 3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline is COCCOCCCNc1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline?
The InChIKey is JFOZFISLFQSOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-15-9-10-17-8-4-7-14-12-5-3-6-13(11-12)16-2/h3,5-6,11,14H,4,7-10H2,1-2H3.
What are the key properties of 3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline?
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline has a molecular weight of 239.31 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline is sourced from PubChem (CID 103409360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).