2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine

C18H29NO — CID 83159219

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC1Cc2ccccc2O1)C(C)C
InChIInChI=1S/C18H29NO/c1-5-10-19-13-18(4,14(2)3)12-16-11-15-8-6-7-9-17(15)20-16/h6-9,14,16,19H,5,10-13H2,1-4H3
InChIKeyHOJABODGFQCFPC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.04
Rot. Bonds7

About 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine

2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine (PubChem CID 83159219) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine
PubChem CID83159219
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC1Cc2ccccc2O1)C(C)C
InChIInChI=1S/C18H29NO/c1-5-10-19-13-18(4,14(2)3)12-16-11-15-8-6-7-9-17(15)20-16/h6-9,14,16,19H,5,10-13H2,1-4H3
InChIKeyHOJABODGFQCFPC-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-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

2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-propylpentan-1-amine
CID 66363254
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83151189
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 66364834
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 66364616
2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83150671
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol
CID 114169479
2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran
CID 79456341
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
CID 66365997
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144599
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine
CID 66362436

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine (CID 83159219) is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine is CCCNCC(C)(CC1Cc2ccccc2O1)C(C)C.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is HOJABODGFQCFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-10-19-13-18(4,14(2)3)12-16-11-15-8-6-7-9-17(15)20-16/h6-9,14,16,19H,5,10-13H2,1-4H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine?
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 83159219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).