[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine

C13H17NO — CID 82608645

IUPAC[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C13H17NO/c14-9-13(5-1-6-13)11-2-3-12-10(8-11)4-7-15-12/h2-3,8H,1,4-7,9,14H2
InChIKeyYMDJJVFFINVVIY-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.00
Rot. Bonds2

About [1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine

[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine (PubChem CID 82608645) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
PubChem CID82608645
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C13H17NO/c14-9-13(5-1-6-13)11-2-3-12-10(8-11)4-7-15-12/h2-3,8H,1,4-7,9,14H2
InChIKeyYMDJJVFFINVVIY-UHFFFAOYSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine
CID 116829665
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine
CID 116929348
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine
CID 116929020
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylcyclopropyl]methanamine
CID 83705415
3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870294
[1-(1,3-benzoxathiol-5-yl)cyclobutyl]methanamine
CID 117316953
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol
CID 116929640
1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide
CID 116844349
[1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117366230
[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117418736

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine (CID 82608645) is [1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine is NCC1(c2ccc3c(c2)CCO3)CCC1.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine?
The InChIKey is YMDJJVFFINVVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c14-9-13(5-1-6-13)11-2-3-12-10(8-11)4-7-15-12/h2-3,8H,1,4-7,9,14H2.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine?
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine has a molecular weight of 203.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine is sourced from PubChem (CID 82608645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).