N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine

C16H25NO — CID 79229690

IUPACN-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine
SMILESCC(C)(C)NCCCCC1COc2ccccc21
InChIInChI=1S/C16H25NO/c1-16(2,3)17-11-7-6-8-13-12-18-15-10-5-4-9-14(13)15/h4-5,9-10,13,17H,6-8,11-12H2,1-3H3
InChIKeyRJEZTNGPIXILKI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.72
Rot. Bonds5

About N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine

N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine (PubChem CID 79229690) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine
PubChem CID79229690
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine
SMILESCC(C)(C)NCCCCC1COc2ccccc21
InChIInChI=1S/C16H25NO/c1-16(2,3)17-11-7-6-8-13-12-18-15-10-5-4-9-14(13)15/h4-5,9-10,13,17H,6-8,11-12H2,1-3H3
InChIKeyRJEZTNGPIXILKI-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-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-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229
4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79229528
N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine
CID 79229614
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine
CID 81020255
3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 14195926
1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
CID 79229480
3-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79229269
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79219918
1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79230011
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine (CID 79229690) is N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine is CC(C)(C)NCCCCC1COc2ccccc21.
What is the InChIKey of N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine?
The InChIKey is RJEZTNGPIXILKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)17-11-7-6-8-13-12-18-15-10-5-4-9-14(13)15/h4-5,9-10,13,17H,6-8,11-12H2,1-3H3.
What are the key properties of N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine?
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)butan-1-amine is sourced from PubChem (CID 79229690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).