[1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone

C16H21NO2 — CID 114748039

IUPAC[1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESNCC1(C(=O)c2cccc3c2OCC3)CCCCC1
InChIInChI=1S/C16H21NO2/c17-11-16(8-2-1-3-9-16)15(18)13-6-4-5-12-7-10-19-14(12)13/h4-6H,1-3,7-11,17H2
InChIKeyYUSPIKBFQHTRDU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.71
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone

[1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 114748039) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID114748039
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESNCC1(C(=O)c2cccc3c2OCC3)CCCCC1
InChIInChI=1S/C16H21NO2/c17-11-16(8-2-1-3-9-16)15(18)13-6-4-5-12-7-10-19-14(12)13/h4-6H,1-3,7-11,17H2
InChIKeyYUSPIKBFQHTRDU-UHFFFAOYSA-N
XLogP2.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 114748039) is [1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone is NCC1(C(=O)c2cccc3c2OCC3)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is YUSPIKBFQHTRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c17-11-16(8-2-1-3-9-16)15(18)13-6-4-5-12-7-10-19-14(12)13/h4-6H,1-3,7-11,17H2.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone?
[1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 114748039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).