3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline

C14H23NO2 — CID 106665054

IUPAC3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline
SMILESCOC(C)(C)CCOC(C)c1cccc(N)c1
InChIInChI=1S/C14H23NO2/c1-11(12-6-5-7-13(15)10-12)17-9-8-14(2,3)16-4/h5-7,10-11H,8-9,15H2,1-4H3
InChIKeyZQOWWTOKGKFFQI-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.16
Rot. Bonds6

About 3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline

3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline (PubChem CID 106665054) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline
PubChem CID106665054
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline
SMILESCOC(C)(C)CCOC(C)c1cccc(N)c1
InChIInChI=1S/C14H23NO2/c1-11(12-6-5-7-13(15)10-12)17-9-8-14(2,3)16-4/h5-7,10-11H,8-9,15H2,1-4H3
InChIKeyZQOWWTOKGKFFQI-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.16
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

(3-methoxy-3-methylbutyl) 2-(3-aminophenyl)propanoate
CID 106592409
1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
CID 106695946
3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
CID 89088484
2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine
CID 106665422
2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine
CID 106665020
3-[(1S)-1-amino-2-methoxyethyl]aniline
CID 55291978
3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline
CID 66275415
2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine
CID 106665334
1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine
CID 106665055
3-[1-(3-bromophenoxy)ethyl]aniline
CID 61263689
1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine
CID 117110911
1-(3-aminophenyl)ethyl sulfite
CID 174384162

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline?
The IUPAC name of 3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline (CID 106665054) is 3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline.
What is the SMILES notation for 3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline?
The canonical SMILES for 3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline is COC(C)(C)CCOC(C)c1cccc(N)c1.
What is the InChIKey of 3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline?
The InChIKey is ZQOWWTOKGKFFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(12-6-5-7-13(15)10-12)17-9-8-14(2,3)16-4/h5-7,10-11H,8-9,15H2,1-4H3.
What are the key properties of 3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline?
3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline has a molecular weight of 237.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline is sourced from PubChem (CID 106665054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).