2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline

C14H23NO3 — CID 106664929

IUPAC2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline
SMILESCCOc1cc(OCCC(C)(C)OC)ccc1N
InChIInChI=1S/C14H23NO3/c1-5-17-13-10-11(6-7-12(13)15)18-9-8-14(2,3)16-4/h6-7,10H,5,8-9,15H2,1-4H3
InChIKeyXUTSXKVTPQWVPD-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.86
Rot. Bonds7

About 2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline

2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline (PubChem CID 106664929) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline.

Molecular Properties

Compound Name2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline
PubChem CID106664929
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline
SMILESCCOc1cc(OCCC(C)(C)OC)ccc1N
InChIInChI=1S/C14H23NO3/c1-5-17-13-10-11(6-7-12(13)15)18-9-8-14(2,3)16-4/h6-7,10H,5,8-9,15H2,1-4H3
InChIKeyXUTSXKVTPQWVPD-UHFFFAOYSA-N
XLogP2.86
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-propoxyaniline
CID 63677806
2-(4-amino-3-ethoxyphenoxy)ethanol
CID 21422991
2-ethoxy-4-pentoxyaniline
CID 63678215
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
4-(2-cyclopropylethoxy)-2-ethoxyaniline
CID 106199653
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
3-(3-methoxy-3-methylbutoxy)-5-methylaniline
CID 106664947
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
1-bromo-4-(3-methoxy-3-methylbutoxy)-2-methylbenzene
CID 103033816
1-chloro-4-(3-methoxy-3-methylbutoxy)benzene
CID 102974966
3-(3-methoxy-3-methylbutoxy)phenol
CID 59527181
4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline?
The IUPAC name of 2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline (CID 106664929) is 2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline.
What is the SMILES notation for 2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline?
The canonical SMILES for 2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline is CCOc1cc(OCCC(C)(C)OC)ccc1N.
What is the InChIKey of 2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline?
The InChIKey is XUTSXKVTPQWVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-17-13-10-11(6-7-12(13)15)18-9-8-14(2,3)16-4/h6-7,10H,5,8-9,15H2,1-4H3.
What are the key properties of 2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline?
2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline has a molecular weight of 253.34 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline is sourced from PubChem (CID 106664929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).