4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine

C16H25NO — CID 66364051

IUPAC4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(CCC1Cc2ccccc2O1)CNC(C)C
InChIInChI=1S/C16H25NO/c1-12(2)17-11-13(3)8-9-15-10-14-6-4-5-7-16(14)18-15/h4-7,12-13,15,17H,8-11H2,1-3H3
InChIKeyNUMDBEMJHYXLAE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.40
Rot. Bonds6

About 4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine

4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 66364051) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID66364051
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(CCC1Cc2ccccc2O1)CNC(C)C
InChIInChI=1S/C16H25NO/c1-12(2)17-11-13(3)8-9-15-10-14-6-4-5-7-16(14)18-15/h4-7,12-13,15,17H,8-11H2,1-3H3
InChIKeyNUMDBEMJHYXLAE-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-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-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine
CID 66364052
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 66362834
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83151189
4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640
2,3-dihydro-1-benzofuran-2-ylmethyl(trimethyl)azanium
CID 3112651
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine (CID 66364051) is 4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine is CC(CCC1Cc2ccccc2O1)CNC(C)C.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is NUMDBEMJHYXLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)17-11-13(3)8-9-15-10-14-6-4-5-7-16(14)18-15/h4-7,12-13,15,17H,8-11H2,1-3H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 66364051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).