(1-ethoxycyclohexyl)-(furan-2-yl)methanamine

C13H21NO2 — CID 116763590

IUPAC(1-ethoxycyclohexyl)-(furan-2-yl)methanamine
SMILESCCOC1(C(N)c2ccco2)CCCCC1
InChIInChI=1S/C13H21NO2/c1-2-16-13(8-4-3-5-9-13)12(14)11-7-6-10-15-11/h6-7,10,12H,2-5,8-9,14H2,1H3
InChIKeyWUMDIAUZAMTYTF-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.02
Rot. Bonds4

About (1-ethoxycyclohexyl)-(furan-2-yl)methanamine

(1-ethoxycyclohexyl)-(furan-2-yl)methanamine (PubChem CID 116763590) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(furan-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(furan-2-yl)methanamine
PubChem CID116763590
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1-ethoxycyclohexyl)-(furan-2-yl)methanamine
SMILESCCOC1(C(N)c2ccco2)CCCCC1
InChIInChI=1S/C13H21NO2/c1-2-16-13(8-4-3-5-9-13)12(14)11-7-6-10-15-11/h6-7,10,12H,2-5,8-9,14H2,1H3
InChIKeyWUMDIAUZAMTYTF-UHFFFAOYSA-N
XLogP3.02
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2-yl-(1-methoxycyclobutyl)methanamine
CID 116713956
1-(1-ethoxycyclopentyl)-2-(furan-2-yl)ethanamine
CID 116761654
(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
CID 116810819
1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine
CID 116770663
(1-ethoxycyclopentyl)-pyridin-3-ylmethanamine
CID 116761702
1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine
CID 116770604
1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine
CID 116770542
(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
CID 116770564
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 116763532
2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609
(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
CID 116770642

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-(furan-2-yl)methanamine?
The IUPAC name of (1-ethoxycyclohexyl)-(furan-2-yl)methanamine (CID 116763590) is (1-ethoxycyclohexyl)-(furan-2-yl)methanamine.
What is the SMILES notation for (1-ethoxycyclohexyl)-(furan-2-yl)methanamine?
The canonical SMILES for (1-ethoxycyclohexyl)-(furan-2-yl)methanamine is CCOC1(C(N)c2ccco2)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-(furan-2-yl)methanamine?
The InChIKey is WUMDIAUZAMTYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-16-13(8-4-3-5-9-13)12(14)11-7-6-10-15-11/h6-7,10,12H,2-5,8-9,14H2,1H3.
What are the key properties of (1-ethoxycyclohexyl)-(furan-2-yl)methanamine?
(1-ethoxycyclohexyl)-(furan-2-yl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(furan-2-yl)methanamine is sourced from PubChem (CID 116763590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).