3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine

C16H23NO — CID 81418387

IUPAC3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc3c(c2)COC3)C1CC
InChIInChI=1S/C16H23NO/c1-3-14-15(8-16(14)17-4-2)11-5-6-12-9-18-10-13(12)7-11/h5-7,14-17H,3-4,8-10H2,1-2H3
InChIKeyMHJUADDACASJQK-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.21
Rot. Bonds4

About 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine

3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine (PubChem CID 81418387) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine
PubChem CID81418387
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc3c(c2)COC3)C1CC
InChIInChI=1S/C16H23NO/c1-3-14-15(8-16(14)17-4-2)11-5-6-12-9-18-10-13(12)7-11/h5-7,14-17H,3-4,8-10H2,1-2H3
InChIKeyMHJUADDACASJQK-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine
CID 81417663
N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
CID 81416943
3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine
CID 81417239
N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine
CID 81416937
3-[4-(2,2-difluoroethylsulfanyl)phenyl]-N,2-diethylcyclobutan-1-amine
CID 81417149
3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine
CID 81415884
N-ethyl-3-(9H-fluoren-2-yl)-2-methylcyclobutan-1-amine
CID 81417064
3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine
CID 114068499
3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine
CID 81417795
3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine
CID 81417778
3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethyl-2-methylcyclobutan-1-one
CID 81416751
N-ethyl-3-(4-ethylphenyl)-2-methylcyclobutan-1-amine
CID 81417273

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine (CID 81418387) is 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine is CCNC1CC(c2ccc3c(c2)COC3)C1CC.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine?
The InChIKey is MHJUADDACASJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-14-15(8-16(14)17-4-2)11-5-6-12-9-18-10-13(12)7-11/h5-7,14-17H,3-4,8-10H2,1-2H3.
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine?
3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine is sourced from PubChem (CID 81418387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).