4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine

C20H25NO — CID 163509002

IUPAC4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine
SMILESCc1ccc2oc3c(c2c1)CC(C)CC3C1C=CC(N)CC1
InChIInChI=1S/C20H25NO/c1-12-3-8-19-17(9-12)18-11-13(2)10-16(20(18)22-19)14-4-6-15(21)7-5-14/h3-4,6,8-9,13-16H,5,7,10-11,21H2,1-2H3
InChIKeyDBBCKCDEYPNXQZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.70
Rot. Bonds1

About 4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine

4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine (PubChem CID 163509002) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine
PubChem CID163509002
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine
SMILESCc1ccc2oc3c(c2c1)CC(C)CC3C1C=CC(N)CC1
InChIInChI=1S/C20H25NO/c1-12-3-8-19-17(9-12)18-11-13(2)10-16(20(18)22-19)14-4-6-15(21)7-5-14/h3-4,6,8-9,13-16H,5,7,10-11,21H2,1-2H3
InChIKeyDBBCKCDEYPNXQZ-UHFFFAOYSA-N
XLogP4.70
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine?
The IUPAC name of 4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine (CID 163509002) is 4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for 4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine?
The canonical SMILES for 4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine is Cc1ccc2oc3c(c2c1)CC(C)CC3C1C=CC(N)CC1.
What is the InChIKey of 4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine?
The InChIKey is DBBCKCDEYPNXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-12-3-8-19-17(9-12)18-11-13(2)10-16(20(18)22-19)14-4-6-15(21)7-5-14/h3-4,6,8-9,13-16H,5,7,10-11,21H2,1-2H3.
What are the key properties of 4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine?
4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine has a molecular weight of 295.43 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-dimethyl-1,2,3,4-tetrahydrodibenzofuran-4-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 163509002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).