N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine

C18H28N2O — CID 106701076

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCCN1CCC(CNC2c3ccccc3OC2(C)C)CC1
InChIInChI=1S/C18H28N2O/c1-4-20-11-9-14(10-12-20)13-19-17-15-7-5-6-8-16(15)21-18(17,2)3/h5-8,14,17,19H,4,9-13H2,1-3H3
InChIKeyOQIYKWVLBXPTCM-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.22
Rot. Bonds4

About N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine

N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106701076) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106701076
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCCN1CCC(CNC2c3ccccc3OC2(C)C)CC1
InChIInChI=1S/C18H28N2O/c1-4-20-11-9-14(10-12-20)13-19-17-15-7-5-6-8-16(15)21-18(17,2)3/h5-8,14,17,19H,4,9-13H2,1-3H3
InChIKeyOQIYKWVLBXPTCM-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-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-3-yl)-1-ethylpiperidin-3-amine
CID 106701023
5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one
CID 106701184
2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol
CID 106701232
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
N-(2-ethoxypropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701430
N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149292
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81345285
1-N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 106700808
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701041
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
CID 106700860

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106701076) is N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine is CCN1CCC(CNC2c3ccccc3OC2(C)C)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is OQIYKWVLBXPTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-20-11-9-14(10-12-20)13-19-17-15-7-5-6-8-16(15)21-18(17,2)3/h5-8,14,17,19H,4,9-13H2,1-3H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 288.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).