2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine

C16H23NO — CID 106813163

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCC1(CNCCc2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C16H23NO/c1-16(7-2-8-16)12-17-9-5-13-3-4-15-14(11-13)6-10-18-15/h3-4,11,17H,2,5-10,12H2,1H3
InChIKeyVMFUWQGBBFPLMX-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.94
Rot. Bonds5

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine (PubChem CID 106813163) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
PubChem CID106813163
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCC1(CNCCc2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C16H23NO/c1-16(7-2-8-16)12-17-9-5-13-3-4-15-14(11-13)6-10-18-15/h3-4,11,17H,2,5-10,12H2,1H3
InChIKeyVMFUWQGBBFPLMX-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 114757582
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylcyclohexan-1-amine
CID 65445021
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79870440
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115756831
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 65445582
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylbutane-1,3-diamine
CID 115200827
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine
CID 65431785
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]butan-1-amine
CID 65446335
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopentyl]methanol
CID 65445774
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]pentan-3-ol
CID 65446932

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine (CID 106813163) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine is CC1(CNCCc2ccc3c(c2)CCO3)CCC1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The InChIKey is VMFUWQGBBFPLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(7-2-8-16)12-17-9-5-13-3-4-15-14(11-13)6-10-18-15/h3-4,11,17H,2,5-10,12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.94, 5 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-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 106813163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).