1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine

C26H29NO3 — CID 142771453

About 1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine

1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine (PubChem CID 142771453) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine.

Molecular Properties

• Compound Name: 1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
• PubChem CID: 142771453
• Molecular Formula: C26H29NO3
• Molecular Weight: 403.52 g/mol
• Exact Mass: 403.21
• IUPAC Name: 1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
• SMILES: NC1(Cc2ccoc2)CCC(Oc2ccc3c(c2)CCC(c2ccccc2)O3)CC1
• InChI: InChI=1S/C26H29NO3/c27-26(17-19-12-15-28-18-19)13-10-22(11-14-26)29-23-7-9-25-21(16-23)6-8-24(30-25)20-4-2-1-3-5-20/h1-5,7,9,12,15-16,18,22,24H,6,8,10-11,13-14,17,27H2
• InChIKey: HZUVHRNLOUQXCI-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 57.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.52
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine?

The IUPAC name of 1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine (CID 142771453) is 1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine.

What is the SMILES notation for 1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine?

The canonical SMILES for 1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine is NC1(Cc2ccoc2)CCC(Oc2ccc3c(c2)CCC(c2ccccc2)O3)CC1.

What is the InChIKey of 1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine?

The InChIKey is HZUVHRNLOUQXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c27-26(17-19-12-15-28-18-19)13-10-22(11-14-26)29-23-7-9-25-21(16-23)6-8-24(30-25)20-4-2-1-3-5-20/h1-5,7,9,12,15-16,18,22,24H,6,8,10-11,13-14,17,27H2.

What are the key properties of 1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine?

1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine has a molecular weight of 403.52 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 142771453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).