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

C14H19NO — CID 116929348

IUPAC[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(Cc2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C14H19NO/c15-10-14(5-1-6-14)9-11-2-3-13-12(8-11)4-7-16-13/h2-3,8H,1,4-7,9-10,15H2
InChIKeyCRUNWLBPCUCPSR-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.29
Rot. Bonds3

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

[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine (PubChem CID 116929348) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine
PubChem CID116929348
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(Cc2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C14H19NO/c15-10-14(5-1-6-14)9-11-2-3-13-12(8-11)4-7-16-13/h2-3,8H,1,4-7,9-10,15H2
InChIKeyCRUNWLBPCUCPSR-UHFFFAOYSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine
CID 116929020
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol
CID 116929640
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 115245808
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645
1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
CID 117291912
[1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropyl]methanol
CID 116928892
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115243911
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 104677727

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine (CID 116929348) is [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine is NCC1(Cc2ccc3c(c2)CCO3)CCC1.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine?
The InChIKey is CRUNWLBPCUCPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-10-14(5-1-6-14)9-11-2-3-13-12(8-11)4-7-16-13/h2-3,8H,1,4-7,9-10,15H2.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine?
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine has a molecular weight of 217.31 g/mol, XLogP of 2.29, 3 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-ylmethyl)cyclobutyl]methanamine is sourced from PubChem (CID 116929348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).