2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline

C13H22N2O2 — CID 82257458

IUPAC2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline
SMILESCOCCNC(C)Cc1ccc(OC)c(N)c1
InChIInChI=1S/C13H22N2O2/c1-10(15-6-7-16-2)8-11-4-5-13(17-3)12(14)9-11/h4-5,9-10,15H,6-8,14H2,1-3H3
InChIKeyNNHZSHDEEFBPIV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.44
Rot. Bonds7

About 2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline

2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline (PubChem CID 82257458) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline
PubChem CID82257458
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline
SMILESCOCCNC(C)Cc1ccc(OC)c(N)c1
InChIInChI=1S/C13H22N2O2/c1-10(15-6-7-16-2)8-11-4-5-13(17-3)12(14)9-11/h4-5,9-10,15H,6-8,14H2,1-3H3
InChIKeyNNHZSHDEEFBPIV-UHFFFAOYSA-N
XLogP1.44
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
CID 82257431
2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol
CID 82257433
2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257442
2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline
CID 82257453
2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
CID 82257451
2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline
CID 82257448
3-[2-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]ethyl]-1,3-thiazolidine-2,4-dione
CID 82257492
1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713699
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
CID 82257445
2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline
CID 82153268

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline?
The IUPAC name of 2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline (CID 82257458) is 2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline.
What is the SMILES notation for 2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline?
The canonical SMILES for 2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline is COCCNC(C)Cc1ccc(OC)c(N)c1.
What is the InChIKey of 2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline?
The InChIKey is NNHZSHDEEFBPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(15-6-7-16-2)8-11-4-5-13(17-3)12(14)9-11/h4-5,9-10,15H,6-8,14H2,1-3H3.
What are the key properties of 2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline?
2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline has a molecular weight of 238.33 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline is sourced from PubChem (CID 82257458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).