N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline

C17H30N2O — CID 63515922

IUPACN,N-diethyl-3-[2-(pentylamino)ethoxy]aniline
SMILESCCCCCNCCOc1cccc(N(CC)CC)c1
InChIInChI=1S/C17H30N2O/c1-4-7-8-12-18-13-14-20-17-11-9-10-16(15-17)19(5-2)6-3/h9-11,15,18H,4-8,12-14H2,1-3H3
InChIKeyZOWQEUROHDJVIE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.69
Rot. Bonds11

About N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline

N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline (PubChem CID 63515922) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline.

Molecular Properties

Compound NameN,N-diethyl-3-[2-(pentylamino)ethoxy]aniline
PubChem CID63515922
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN,N-diethyl-3-[2-(pentylamino)ethoxy]aniline
SMILESCCCCCNCCOc1cccc(N(CC)CC)c1
InChIInChI=1S/C17H30N2O/c1-4-7-8-12-18-13-14-20-17-11-9-10-16(15-17)19(5-2)6-3/h9-11,15,18H,4-8,12-14H2,1-3H3
InChIKeyZOWQEUROHDJVIE-UHFFFAOYSA-N
XLogP3.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline
CID 62582854
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
3-(5-deuteriopentoxy)-N,N-diethylaniline
CID 163281862
N-[2-(3-methylphenoxy)ethyl]heptan-1-amine
CID 54797484
N-[2-(3-chlorophenoxy)ethyl]butan-1-amine
CID 60684753
N-[3-(3-methylphenoxy)propyl]hexan-1-amine
CID 82097595
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
N-[2-(3-methylsulfonylphenoxy)ethyl]hexan-1-amine
CID 62583062
N,N-diethyl-3-[(octadecylamino)methyl]aniline
CID 132514065

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline?
The IUPAC name of N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline (CID 63515922) is N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline.
What is the SMILES notation for N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline?
The canonical SMILES for N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline is CCCCCNCCOc1cccc(N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline?
The InChIKey is ZOWQEUROHDJVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-7-8-12-18-13-14-20-17-11-9-10-16(15-17)19(5-2)6-3/h9-11,15,18H,4-8,12-14H2,1-3H3.
What are the key properties of N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline?
N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline has a molecular weight of 278.44 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline is sourced from PubChem (CID 63515922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).