N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine

C15H23NO — CID 65303126

IUPACN-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
SMILESCCNCCCCc1ccc2c(c1)CC(C)O2
InChIInChI=1S/C15H23NO/c1-3-16-9-5-4-6-13-7-8-15-14(11-13)10-12(2)17-15/h7-8,11-12,16H,3-6,9-10H2,1-2H3
InChIKeyQMGAYXXCAMDUGY-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.94
Rot. Bonds6

About N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine

N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine (PubChem CID 65303126) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
PubChem CID65303126
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
SMILESCCNCCCCc1ccc2c(c1)CC(C)O2
InChIInChI=1S/C15H23NO/c1-3-16-9-5-4-6-13-7-8-15-14(11-13)10-12(2)17-15/h7-8,11-12,16H,3-6,9-10H2,1-2H3
InChIKeyQMGAYXXCAMDUGY-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-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-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine
CID 65305644
6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine
CID 65305304
3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanenitrile
CID 84770407
2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine
CID 65303572
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine
CID 105471600
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethylpentan-1-amine
CID 65300764
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66393308
4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-ethylbutan-1-amine
CID 107294643

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine (CID 65303126) is N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine is CCNCCCCc1ccc2c(c1)CC(C)O2.
What is the InChIKey of N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine?
The InChIKey is QMGAYXXCAMDUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-16-9-5-4-6-13-7-8-15-14(11-13)10-12(2)17-15/h7-8,11-12,16H,3-6,9-10H2,1-2H3.
What are the key properties of N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine?
N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine is sourced from PubChem (CID 65303126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).