3-[3-(2-methoxyethylamino)propyl]aniline

C12H20N2O — CID 115342052

IUPAC3-[3-(2-methoxyethylamino)propyl]aniline
SMILESCOCCNCCCc1cccc(N)c1
InChIInChI=1S/C12H20N2O/c1-15-9-8-14-7-3-5-11-4-2-6-12(13)10-11/h2,4,6,10,14H,3,5,7-9,13H2,1H3
InChIKeyDUWPRHFRHSGCRK-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.44
Rot. Bonds7

About 3-[3-(2-methoxyethylamino)propyl]aniline

3-[3-(2-methoxyethylamino)propyl]aniline (PubChem CID 115342052) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-[3-(2-methoxyethylamino)propyl]aniline.

Molecular Properties

Compound Name3-[3-(2-methoxyethylamino)propyl]aniline
PubChem CID115342052
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-[3-(2-methoxyethylamino)propyl]aniline
SMILESCOCCNCCCc1cccc(N)c1
InChIInChI=1S/C12H20N2O/c1-15-9-8-14-7-3-5-11-4-2-6-12(13)10-11/h2,4,6,10,14H,3,5,7-9,13H2,1H3
InChIKeyDUWPRHFRHSGCRK-UHFFFAOYSA-N
XLogP1.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55134831
3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline
CID 82257317
3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline
CID 115342217
3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline
CID 115341872
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
3-[3-(2,2-dimethylbutylamino)propyl]aniline
CID 103462249
4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 79977194
2-[3-(2-methoxyethylamino)propyl]aniline
CID 107274451
3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine
CID 143800069
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline
CID 82153268
3-[3-[(4,5-dimethylthiophen-2-yl)methylamino]propyl]aniline
CID 115342183

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethylamino)propyl]aniline?
The IUPAC name of 3-[3-(2-methoxyethylamino)propyl]aniline (CID 115342052) is 3-[3-(2-methoxyethylamino)propyl]aniline.
What is the SMILES notation for 3-[3-(2-methoxyethylamino)propyl]aniline?
The canonical SMILES for 3-[3-(2-methoxyethylamino)propyl]aniline is COCCNCCCc1cccc(N)c1.
What is the InChIKey of 3-[3-(2-methoxyethylamino)propyl]aniline?
The InChIKey is DUWPRHFRHSGCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-15-9-8-14-7-3-5-11-4-2-6-12(13)10-11/h2,4,6,10,14H,3,5,7-9,13H2,1H3.
What are the key properties of 3-[3-(2-methoxyethylamino)propyl]aniline?
3-[3-(2-methoxyethylamino)propyl]aniline has a molecular weight of 208.31 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethylamino)propyl]aniline is sourced from PubChem (CID 115342052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).