N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline

C16H28N2O2 — CID 62582854

IUPACN,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline
SMILESCCN(CC)c1cccc(OCCCNCCOC)c1
InChIInChI=1S/C16H28N2O2/c1-4-18(5-2)15-8-6-9-16(14-15)20-12-7-10-17-11-13-19-3/h6,8-9,14,17H,4-5,7,10-13H2,1-3H3
InChIKeyJWSJDHVLYIZUBF-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.54
Rot. Bonds11

About N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline

N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline (PubChem CID 62582854) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline.

Molecular Properties

Compound NameN,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline
PubChem CID62582854
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline
SMILESCCN(CC)c1cccc(OCCCNCCOC)c1
InChIInChI=1S/C16H28N2O2/c1-4-18(5-2)15-8-6-9-16(14-15)20-12-7-10-17-11-13-19-3/h6,8-9,14,17H,4-5,7,10-13H2,1-3H3
InChIKeyJWSJDHVLYIZUBF-UHFFFAOYSA-N
XLogP2.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.54
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,N-diethyl-3-[2-(pentylamino)ethoxy]aniline
CID 63515922
N,N-diethyl-3-[3-(methylamino)propoxy]aniline
CID 62584152
N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline
CID 62582853
N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline
CID 62583401
N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
CID 62573044
3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599161
N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
CID 62572887
N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62561630
N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 60684435
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
3-(5-deuteriopentoxy)-N,N-diethylaniline
CID 163281862
N-(2-methoxyethyl)-N'-(3-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 55087335

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline?
The IUPAC name of N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline (CID 62582854) is N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline.
What is the SMILES notation for N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline?
The canonical SMILES for N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline is CCN(CC)c1cccc(OCCCNCCOC)c1.
What is the InChIKey of N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline?
The InChIKey is JWSJDHVLYIZUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-18(5-2)15-8-6-9-16(14-15)20-12-7-10-17-11-13-19-3/h6,8-9,14,17H,4-5,7,10-13H2,1-3H3.
What are the key properties of N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline?
N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline has a molecular weight of 280.41 g/mol, XLogP of 2.54, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline is sourced from PubChem (CID 62582854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).