N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine

C15H22N2O — CID 115204462

IUPACN-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)CNCc1coc2ccccc12
InChIInChI=1S/C15H22N2O/c1-15(2,7-8-16)11-17-9-12-10-18-14-6-4-3-5-13(12)14/h3-6,10,17H,7-9,11,16H2,1-2H3
InChIKeyPTFUTLREFWZHCT-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.90
Rot. Bonds6

About N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine

N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 115204462) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID115204462
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CCN)CNCc1coc2ccccc12
InChIInChI=1S/C15H22N2O/c1-15(2,7-8-16)11-17-9-12-10-18-14-6-4-3-5-13(12)14/h3-6,10,17H,7-9,11,16H2,1-2H3
InChIKeyPTFUTLREFWZHCT-UHFFFAOYSA-N
XLogP2.90
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115132762
N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine
CID 115251519
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648
N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine
CID 115199863
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548
2-(1-benzofuran-3-ylmethylamino)-2-methylpropanenitrile
CID 115129363
N-(1-benzofuran-3-ylmethyl)-3-chloropropan-1-amine
CID 115215675
1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
CID 115189846
1-amino-3-(1-benzofuran-3-yl)propan-2-ol
CID 116859204
N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine (CID 115204462) is N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine is CC(C)(CCN)CNCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is PTFUTLREFWZHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,7-8-16)11-17-9-12-10-18-14-6-4-3-5-13(12)14/h3-6,10,17H,7-9,11,16H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine?
N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 246.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115204462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).