2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline

C25H35NO2 — CID 153360510

IUPAC2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NCc2ccc(C3CCCCO3)o2)c(C2CCCCC2)c1
InChIInChI=1S/C25H35NO2/c1-18(2)20-11-13-23(22(16-20)19-8-4-3-5-9-19)26-17-21-12-14-25(28-21)24-10-6-7-15-27-24/h11-14,16,18-19,24,26H,3-10,15,17H2,1-2H3
InChIKeyGYTVCHRGONLGMD-UHFFFAOYSA-N
MW381.56 g/mol
LogP7.30
Rot. Bonds6

About 2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline

2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline (PubChem CID 153360510) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is 2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline.

Molecular Properties

Compound Name2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline
PubChem CID153360510
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NCc2ccc(C3CCCCO3)o2)c(C2CCCCC2)c1
InChIInChI=1S/C25H35NO2/c1-18(2)20-11-13-23(22(16-20)19-8-4-3-5-9-19)26-17-21-12-14-25(28-21)24-10-6-7-15-27-24/h11-14,16,18-19,24,26H,3-10,15,17H2,1-2H3
InChIKeyGYTVCHRGONLGMD-UHFFFAOYSA-N
XLogP7.30
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline?
The IUPAC name of 2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline (CID 153360510) is 2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline.
What is the SMILES notation for 2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline?
The canonical SMILES for 2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline is CC(C)c1ccc(NCc2ccc(C3CCCCO3)o2)c(C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline?
The InChIKey is GYTVCHRGONLGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-18(2)20-11-13-23(22(16-20)19-8-4-3-5-9-19)26-17-21-12-14-25(28-21)24-10-6-7-15-27-24/h11-14,16,18-19,24,26H,3-10,15,17H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline?
2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline has a molecular weight of 381.56 g/mol, XLogP of 7.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline is sourced from PubChem (CID 153360510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).