4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline

C15H26N2O — CID 79477986

IUPAC4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline
SMILESCCC(C)CN(CC)CCOc1ccc(N)cc1
InChIInChI=1S/C15H26N2O/c1-4-13(3)12-17(5-2)10-11-18-15-8-6-14(16)7-9-15/h6-9,13H,4-5,10-12,16H2,1-3H3
InChIKeyJPTUSECXWBQWMI-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.02
Rot. Bonds8

About 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline

4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline (PubChem CID 79477986) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline
PubChem CID79477986
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline
SMILESCCC(C)CN(CC)CCOc1ccc(N)cc1
InChIInChI=1S/C15H26N2O/c1-4-13(3)12-17(5-2)10-11-18-15-8-6-14(16)7-9-15/h6-9,13H,4-5,10-12,16H2,1-3H3
InChIKeyJPTUSECXWBQWMI-UHFFFAOYSA-N
XLogP3.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile
CID 79477641
4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
CID 115342218
N-[2-[3-(3-aminoprop-1-ynyl)phenoxy]ethyl]-N-ethyl-2-methylbutan-1-amine
CID 79481759
N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481917
4-[2-(2-methylbutylsulfanyl)ethoxy]aniline
CID 107748817
1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79477042
4-[2-[ethyl(2-ethylbutyl)amino]ethoxy]benzenecarbothioamide
CID 61436777
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol
CID 79481508
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
2-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzohydrazide
CID 79482895
4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline
CID 63983501

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline?
The IUPAC name of 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline (CID 79477986) is 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline.
What is the SMILES notation for 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline?
The canonical SMILES for 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline is CCC(C)CN(CC)CCOc1ccc(N)cc1.
What is the InChIKey of 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline?
The InChIKey is JPTUSECXWBQWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-13(3)12-17(5-2)10-11-18-15-8-6-14(16)7-9-15/h6-9,13H,4-5,10-12,16H2,1-3H3.
What are the key properties of 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline?
4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline has a molecular weight of 250.39 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline is sourced from PubChem (CID 79477986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).