2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline

C19H26N2O2 — CID 94759885

IUPAC2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline
SMILESCOc1ccc(CCNCCCc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C19H26N2O2/c1-22-17-8-5-15(6-9-17)11-13-21-12-3-4-16-7-10-19(23-2)18(20)14-16/h5-10,14,21H,3-4,11-13,20H2,1-2H3
InChIKeyQYHRAARKNMBFDJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.05
Rot. Bonds9

About 2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline

2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline (PubChem CID 94759885) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline
PubChem CID94759885
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline
SMILESCOc1ccc(CCNCCCc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C19H26N2O2/c1-22-17-8-5-15(6-9-17)11-13-21-12-3-4-16-7-10-19(23-2)18(20)14-16/h5-10,14,21H,3-4,11-13,20H2,1-2H3
InChIKeyQYHRAARKNMBFDJ-UHFFFAOYSA-N
XLogP3.05
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.05
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-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
CID 95408677
2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline
CID 82153268
4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol
CID 82257346
2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
CID 82257349
N-[2-(3-amino-4-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82257408
5-[3-(4-butylanilino)propyl]-2-methoxyaniline
CID 94760436
N-[2-(4-aminophenyl)ethyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;trihydrochloride
CID 70044329
N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine
CID 113410167
N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine
CID 44522466
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline?
The IUPAC name of 2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline (CID 94759885) is 2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline.
What is the SMILES notation for 2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline?
The canonical SMILES for 2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline is COc1ccc(CCNCCCc2ccc(OC)c(N)c2)cc1.
What is the InChIKey of 2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline?
The InChIKey is QYHRAARKNMBFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-22-17-8-5-15(6-9-17)11-13-21-12-3-4-16-7-10-19(23-2)18(20)14-16/h5-10,14,21H,3-4,11-13,20H2,1-2H3.
What are the key properties of 2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline?
2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline has a molecular weight of 314.43 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline is sourced from PubChem (CID 94759885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).