3-[2-(3-tert-butylphenoxy)ethoxy]aniline

C18H23NO2 — CID 39386100

IUPAC3-[2-(3-tert-butylphenoxy)ethoxy]aniline
SMILESCC(C)(C)c1cccc(OCCOc2cccc(N)c2)c1
InChIInChI=1S/C18H23NO2/c1-18(2,3)14-6-4-8-16(12-14)20-10-11-21-17-9-5-7-15(19)13-17/h4-9,12-13H,10-11,19H2,1-3H3
InChIKeyNNDGFKDUMMEVPD-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.02
Rot. Bonds5

About 3-[2-(3-tert-butylphenoxy)ethoxy]aniline

3-[2-(3-tert-butylphenoxy)ethoxy]aniline (PubChem CID 39386100) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[2-(3-tert-butylphenoxy)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(3-tert-butylphenoxy)ethoxy]aniline
PubChem CID39386100
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[2-(3-tert-butylphenoxy)ethoxy]aniline
SMILESCC(C)(C)c1cccc(OCCOc2cccc(N)c2)c1
InChIInChI=1S/C18H23NO2/c1-18(2,3)14-6-4-8-16(12-14)20-10-11-21-17-9-5-7-15(19)13-17/h4-9,12-13H,10-11,19H2,1-3H3
InChIKeyNNDGFKDUMMEVPD-UHFFFAOYSA-N
XLogP4.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
2-(3-tert-butylphenoxy)ethyl acetate
CID 20619578
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 43366160
3-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 6502498
(2S)-4-(3-tert-butylphenoxy)butan-2-amine
CID 39245152
3-[4-[4-(3-tert-butylphenoxy)phenyl]phenoxy]aniline
CID 143534956
1-tert-butyl-3-(5-methoxypentoxy)benzene
CID 71001678
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
3-(3-tert-butylsulfanylpropoxy)aniline
CID 43174528
3-tert-butylaniline;hydrobromide
CID 155928054
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 64815058

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-tert-butylphenoxy)ethoxy]aniline?
The IUPAC name of 3-[2-(3-tert-butylphenoxy)ethoxy]aniline (CID 39386100) is 3-[2-(3-tert-butylphenoxy)ethoxy]aniline.
What is the SMILES notation for 3-[2-(3-tert-butylphenoxy)ethoxy]aniline?
The canonical SMILES for 3-[2-(3-tert-butylphenoxy)ethoxy]aniline is CC(C)(C)c1cccc(OCCOc2cccc(N)c2)c1.
What is the InChIKey of 3-[2-(3-tert-butylphenoxy)ethoxy]aniline?
The InChIKey is NNDGFKDUMMEVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(2,3)14-6-4-8-16(12-14)20-10-11-21-17-9-5-7-15(19)13-17/h4-9,12-13H,10-11,19H2,1-3H3.
What are the key properties of 3-[2-(3-tert-butylphenoxy)ethoxy]aniline?
3-[2-(3-tert-butylphenoxy)ethoxy]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-tert-butylphenoxy)ethoxy]aniline is sourced from PubChem (CID 39386100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).