N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine

C16H24N2O3 — CID 10827498

IUPACN,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine
SMILESCc1c(C)c([N+](=O)[O-])c(C)c2c1OC(C)(CCN(C)C)C2
InChIInChI=1S/C16H24N2O3/c1-10-11(2)15-13(12(3)14(10)18(19)20)9-16(4,21-15)7-8-17(5)6/h7-9H2,1-6H3
InChIKeyNRCQWJYRAYJAPY-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.17
Rot. Bonds4

About N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine

N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine (PubChem CID 10827498) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine
PubChem CID10827498
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine
SMILESCc1c(C)c([N+](=O)[O-])c(C)c2c1OC(C)(CCN(C)C)C2
InChIInChI=1S/C16H24N2O3/c1-10-11(2)15-13(12(3)14(10)18(19)20)9-16(4,21-15)7-8-17(5)6/h7-9H2,1-6H3
InChIKeyNRCQWJYRAYJAPY-UHFFFAOYSA-N
XLogP3.17
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-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

5-Amino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10035862
2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine
CID 10610515
2,4,6,7-tetramethyl-2-(morpholin-4-ylmethyl)-3H-1-benzofuran-5-amine
CID 10661194
2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine
CID 10681821
2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine
CID 10729182
2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine
CID 10494677
2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine
CID 10566307
2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine
CID 10613374
2,2,6,7-tetramethyl-4-nitro-3H-1-benzofuran-5-amine
CID 10752288
7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine
CID 10753096
2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine
CID 10755817
2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10801469

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine (CID 10827498) is N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine is Cc1c(C)c([N+](=O)[O-])c(C)c2c1OC(C)(CCN(C)C)C2.
What is the InChIKey of N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine?
The InChIKey is NRCQWJYRAYJAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10-11(2)15-13(12(3)14(10)18(19)20)9-16(4,21-15)7-8-17(5)6/h7-9H2,1-6H3.
What are the key properties of N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine?
N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine has a molecular weight of 292.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 10827498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).