1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine

C15H25NO2 — CID 116770604

IUPAC1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine
SMILESCCOC1(C(N)Cc2ccoc2)CCCCCC1
InChIInChI=1S/C15H25NO2/c1-2-18-15(8-5-3-4-6-9-15)14(16)11-13-7-10-17-12-13/h7,10,12,14H,2-6,8-9,11,16H2,1H3
InChIKeyAIZHWLSQNUDKEC-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.28
Rot. Bonds5

About 1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine

1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine (PubChem CID 116770604) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine
PubChem CID116770604
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine
SMILESCCOC1(C(N)Cc2ccoc2)CCCCCC1
InChIInChI=1S/C15H25NO2/c1-2-18-15(8-5-3-4-6-9-15)14(16)11-13-7-10-17-12-13/h7,10,12,14H,2-6,8-9,11,16H2,1H3
InChIKeyAIZHWLSQNUDKEC-UHFFFAOYSA-N
XLogP3.28
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxycyclopentyl)-2-(furan-2-yl)ethanamine
CID 116761654
2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanamine
CID 116761667
[1-(1-ethoxy-3-methylcyclohexyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105277717
1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116770578
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine
CID 116763561
N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714803
2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 103040524
2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 107309137
3-[2-amino-2-(1-ethoxycyclohexyl)ethyl]pyridin-4-amine
CID 116763733
1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 116770574
2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 106868865

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine?
The IUPAC name of 1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine (CID 116770604) is 1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine is CCOC1(C(N)Cc2ccoc2)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine?
The InChIKey is AIZHWLSQNUDKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-18-15(8-5-3-4-6-9-15)14(16)11-13-7-10-17-12-13/h7,10,12,14H,2-6,8-9,11,16H2,1H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine?
1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 116770604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).