2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline

C18H32N2O — CID 107869353

IUPAC2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline
SMILESCC(C)CCN(CCOc1ccccc1N)CCC(C)C
InChIInChI=1S/C18H32N2O/c1-15(2)9-11-20(12-10-16(3)4)13-14-21-18-8-6-5-7-17(18)19/h5-8,15-16H,9-14,19H2,1-4H3
InChIKeyAZXWXBIFDJXRNR-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.04
Rot. Bonds10

About 2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline

2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline (PubChem CID 107869353) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline.

Molecular Properties

Compound Name2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline
PubChem CID107869353
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline
SMILESCC(C)CCN(CCOc1ccccc1N)CCC(C)C
InChIInChI=1S/C18H32N2O/c1-15(2)9-11-20(12-10-16(3)4)13-14-21-18-8-6-5-7-17(18)19/h5-8,15-16H,9-14,19H2,1-4H3
InChIKeyAZXWXBIFDJXRNR-UHFFFAOYSA-N
XLogP4.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline
CID 61425855
3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide
CID 61109535
2-[2-(2-aminophenoxy)ethyl-(cyanomethyl)amino]acetonitrile
CID 43365602
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 43588461
2-[3-[bis(3-methylbutyl)amino]propyl]aniline
CID 107870230
1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
CID 62269721
2-[3-(2-aminophenoxy)propyl-propan-2-ylamino]ethanol
CID 54996120
2-(3,3-difluoropropoxy)aniline
CID 84660949
2-[3-[methoxy(methyl)amino]propoxy]aniline
CID 43627567
2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline
CID 61452973
2-(2-methylpentoxy)aniline
CID 45075234
3-[[bis(3-methylbutyl)amino]methyl]-2-fluoroaniline
CID 107869377

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline?
The IUPAC name of 2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline (CID 107869353) is 2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline.
What is the SMILES notation for 2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline?
The canonical SMILES for 2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline is CC(C)CCN(CCOc1ccccc1N)CCC(C)C.
What is the InChIKey of 2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline?
The InChIKey is AZXWXBIFDJXRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15(2)9-11-20(12-10-16(3)4)13-14-21-18-8-6-5-7-17(18)19/h5-8,15-16H,9-14,19H2,1-4H3.
What are the key properties of 2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline?
2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline has a molecular weight of 292.47 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline is sourced from PubChem (CID 107869353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).