3-ethoxy-5-(2-ethylazepan-1-yl)aniline

C16H26N2O — CID 104688796

IUPAC3-ethoxy-5-(2-ethylazepan-1-yl)aniline
SMILESCCOc1cc(N)cc(N2CCCCCC2CC)c1
InChIInChI=1S/C16H26N2O/c1-3-14-8-6-5-7-9-18(14)15-10-13(17)11-16(12-15)19-4-2/h10-12,14H,3-9,17H2,1-2H3
InChIKeyVXLXELVRYXYKOG-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.83
Rot. Bonds4

About 3-ethoxy-5-(2-ethylazepan-1-yl)aniline

3-ethoxy-5-(2-ethylazepan-1-yl)aniline (PubChem CID 104688796) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-ethoxy-5-(2-ethylazepan-1-yl)aniline.

Molecular Properties

Compound Name3-ethoxy-5-(2-ethylazepan-1-yl)aniline
PubChem CID104688796
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-ethoxy-5-(2-ethylazepan-1-yl)aniline
SMILESCCOc1cc(N)cc(N2CCCCCC2CC)c1
InChIInChI=1S/C16H26N2O/c1-3-14-8-6-5-7-9-18(14)15-10-13(17)11-16(12-15)19-4-2/h10-12,14H,3-9,17H2,1-2H3
InChIKeyVXLXELVRYXYKOG-UHFFFAOYSA-N
XLogP3.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.83
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-(2-ethylpiperidin-1-yl)-5-methoxyaniline
CID 80721846
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-ethoxyaniline
CID 80730850
3-ethoxy-5-pyrrolidin-1-ylaniline
CID 80725867
3-(2-ethylpiperidin-1-yl)-5-nitroaniline
CID 80776239
2-[1-(3-amino-5-methoxyphenyl)piperidin-2-yl]ethanol
CID 80725887
3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline
CID 80731205
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
[1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 80731616
4-(2-ethylpyrrolidin-1-yl)aniline
CID 60973731
3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505085
3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(2-ethylazepan-1-yl)aniline?
The IUPAC name of 3-ethoxy-5-(2-ethylazepan-1-yl)aniline (CID 104688796) is 3-ethoxy-5-(2-ethylazepan-1-yl)aniline.
What is the SMILES notation for 3-ethoxy-5-(2-ethylazepan-1-yl)aniline?
The canonical SMILES for 3-ethoxy-5-(2-ethylazepan-1-yl)aniline is CCOc1cc(N)cc(N2CCCCCC2CC)c1.
What is the InChIKey of 3-ethoxy-5-(2-ethylazepan-1-yl)aniline?
The InChIKey is VXLXELVRYXYKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-14-8-6-5-7-9-18(14)15-10-13(17)11-16(12-15)19-4-2/h10-12,14H,3-9,17H2,1-2H3.
What are the key properties of 3-ethoxy-5-(2-ethylazepan-1-yl)aniline?
3-ethoxy-5-(2-ethylazepan-1-yl)aniline has a molecular weight of 262.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(2-ethylazepan-1-yl)aniline is sourced from PubChem (CID 104688796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).