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

C14H21NO — CID 63270798

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C14H21NO/c1-4-7-15-10-11-5-6-13-12(8-11)9-14(2,3)16-13/h5-6,8,15H,4,7,9-10H2,1-3H3
InChIKeyHXAVMMNBXWHJGC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.90
Rot. Bonds4

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

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine (PubChem CID 63270798) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
PubChem CID63270798
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C14H21NO/c1-4-7-15-10-11-5-6-13-12(8-11)9-14(2,3)16-13/h5-6,8,15H,4,7,9-10H2,1-3H3
InChIKeyHXAVMMNBXWHJGC-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine 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]-2-methylsulfanylethanamine
CID 63378459
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115614218
N-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethyl]methanesulfonamide
CID 63271377
3-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 115639598
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide
CID 106235576
2-(cyclopenten-1-yl)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]ethanamine
CID 106169576
2-(cyclohexen-1-yl)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]ethanamine
CID 63420843
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
CID 119122037
2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]prop-2-en-1-amine
CID 115645149
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]-N,N-diethylacetamide
CID 115614318

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine (CID 63270798) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine is CCCNCc1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine?
The InChIKey is HXAVMMNBXWHJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-7-15-10-11-5-6-13-12(8-11)9-14(2,3)16-13/h5-6,8,15H,4,7,9-10H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 63270798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).