1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine

C18H23NO — CID 68673870

IUPAC1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine
SMILESCC(N)C1(c2ccc(-c3ccco3)cc2)CCCCC1
InChIInChI=1S/C18H23NO/c1-14(19)18(11-3-2-4-12-18)16-9-7-15(8-10-16)17-6-5-13-20-17/h5-10,13-14H,2-4,11-12,19H2,1H3
InChIKeyYYFQILZHEMMPAC-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.50
Rot. Bonds3

About 1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine

1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine (PubChem CID 68673870) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine.

Molecular Properties

Compound Name1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine
PubChem CID68673870
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine
SMILESCC(N)C1(c2ccc(-c3ccco3)cc2)CCCCC1
InChIInChI=1S/C18H23NO/c1-14(19)18(11-3-2-4-12-18)16-9-7-15(8-10-16)17-6-5-13-20-17/h5-10,13-14H,2-4,11-12,19H2,1H3
InChIKeyYYFQILZHEMMPAC-UHFFFAOYSA-N
XLogP4.50
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine?
The IUPAC name of 1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine (CID 68673870) is 1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine.
What is the SMILES notation for 1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine?
The canonical SMILES for 1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine is CC(N)C1(c2ccc(-c3ccco3)cc2)CCCCC1.
What is the InChIKey of 1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine?
The InChIKey is YYFQILZHEMMPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(19)18(11-3-2-4-12-18)16-9-7-15(8-10-16)17-6-5-13-20-17/h5-10,13-14H,2-4,11-12,19H2,1H3.
What are the key properties of 1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine?
1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(furan-2-yl)phenyl]cyclohexyl]ethanamine is sourced from PubChem (CID 68673870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).