2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine

C14H24N2O — CID 103388766

IUPAC2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(C)CN
InChIInChI=1S/C14H24N2O/c1-9(8-15)16-12-6-14(3,4)7-13-11(12)5-10(2)17-13/h5,9,12,16H,6-8,15H2,1-4H3
InChIKeySYVSGMHPGCZLMM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.54
Rot. Bonds3

About 2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine

2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine (PubChem CID 103388766) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine
PubChem CID103388766
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(C)CN
InChIInChI=1S/C14H24N2O/c1-9(8-15)16-12-6-14(3,4)7-13-11(12)5-10(2)17-13/h5,9,12,16H,6-8,15H2,1-4H3
InChIKeySYVSGMHPGCZLMM-UHFFFAOYSA-N
XLogP2.54
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine (CID 103388766) is 2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine is Cc1cc2c(o1)CC(C)(C)CC2NC(C)CN.
What is the InChIKey of 2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine?
The InChIKey is SYVSGMHPGCZLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9(8-15)16-12-6-14(3,4)7-13-11(12)5-10(2)17-13/h5,9,12,16H,6-8,15H2,1-4H3.
What are the key properties of 2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine?
2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine is sourced from PubChem (CID 103388766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).