N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine

C18H23NO2 — CID 63271296

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc3c(c2)CC(C)(C)O3)o1
InChIInChI=1S/C18H23NO2/c1-12-5-7-16(20-12)13(2)19-11-14-6-8-17-15(9-14)10-18(3,4)21-17/h5-9,13,19H,10-11H2,1-4H3
InChIKeyJVVCNYXAZOKDHI-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.15
Rot. Bonds4

About N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 63271296) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
PubChem CID63271296
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc3c(c2)CC(C)(C)O3)o1
InChIInChI=1S/C18H23NO2/c1-12-5-7-16(20-12)13(2)19-11-14-6-8-17-15(9-14)10-18(3,4)21-17/h5-9,13,19H,10-11H2,1-4H3
InChIKeyJVVCNYXAZOKDHI-UHFFFAOYSA-N
XLogP4.15
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine 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

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]but-3-yn-2-amine
CID 114415329
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]but-3-en-2-amine
CID 113254593
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 119121765
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63612015
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylbutanoic acid
CID 63271115
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide
CID 63270938
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 115614307
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylsulfanylethanamine
CID 63378459
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 63270799

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine (CID 63271296) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(C)NCc2ccc3c(c2)CC(C)(C)O3)o1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is JVVCNYXAZOKDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-5-7-16(20-12)13(2)19-11-14-6-8-17-15(9-14)10-18(3,4)21-17/h5-9,13,19H,10-11H2,1-4H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 63271296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).