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

C17H30N2O — CID 62582853

IUPACN,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline
SMILESCCN(CC)c1cccc(OCCNCCC(C)C)c1
InChIInChI=1S/C17H30N2O/c1-5-19(6-2)16-8-7-9-17(14-16)20-13-12-18-11-10-15(3)4/h7-9,14-15,18H,5-6,10-13H2,1-4H3
InChIKeyBPYBKYSUCZZDME-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.55
Rot. Bonds10

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

N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline (PubChem CID 62582853) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline.

Molecular Properties

Compound NameN,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline
PubChem CID62582853
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline
SMILESCCN(CC)c1cccc(OCCNCCC(C)C)c1
InChIInChI=1S/C17H30N2O/c1-5-19(6-2)16-8-7-9-17(14-16)20-13-12-18-11-10-15(3)4/h7-9,14-15,18H,5-6,10-13H2,1-4H3
InChIKeyBPYBKYSUCZZDME-UHFFFAOYSA-N
XLogP3.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.55
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-[2-(pentylamino)ethoxy]aniline
CID 63515922
N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline
CID 62583401
N,N-diethyl-3-[3-(methylamino)propoxy]aniline
CID 62584152
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 55088692
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
1-[3-(diethylamino)phenoxy]propan-2-ol
CID 22760892
3-(5-deuteriopentoxy)-N,N-diethylaniline
CID 163281862
hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate
CID 66338016
N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline
CID 62485229
ethyl 3-[3-(diethylamino)phenoxy]propanoate
CID 43517017
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]butan-1-amine;hydrochloride
CID 117067339

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline?
The IUPAC name of N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline (CID 62582853) is N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline.
What is the SMILES notation for N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline?
The canonical SMILES for N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline is CCN(CC)c1cccc(OCCNCCC(C)C)c1.
What is the InChIKey of N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline?
The InChIKey is BPYBKYSUCZZDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-19(6-2)16-8-7-9-17(14-16)20-13-12-18-11-10-15(3)4/h7-9,14-15,18H,5-6,10-13H2,1-4H3.
What are the key properties of N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline?
N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline has a molecular weight of 278.44 g/mol, XLogP of 3.55, 10 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-(3-methylbutylamino)ethoxy]aniline is sourced from PubChem (CID 62582853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).