cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine

C15H19NO — CID 55231459

IUPACcyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine
SMILESNC(C1=CCCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19NO/c16-15(11-4-2-1-3-5-11)12-6-7-13-9-17-10-14(13)8-12/h4,6-8,15H,1-3,5,9-10,16H2
InChIKeyILDXCEUUNXQCBB-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.22
Rot. Bonds2

About cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine

cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine (PubChem CID 55231459) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine
PubChem CID55231459
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Namecyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine
SMILESNC(C1=CCCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19NO/c16-15(11-4-2-1-3-5-11)12-6-7-13-9-17-10-14(13)8-12/h4,6-8,15H,1-3,5,9-10,16H2
InChIKeyILDXCEUUNXQCBB-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 106657645
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033357
N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 63733717
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656508
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 63731423
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
[(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine
CID 106652462
cyclohexen-1-yl-(2-methyl-4-pyridinyl)methanamine
CID 106756070
cyclohepten-1-yl-(3,5-difluorophenyl)methanamine
CID 62080192

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine?
The IUPAC name of cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine (CID 55231459) is cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine.
What is the SMILES notation for cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine?
The canonical SMILES for cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine is NC(C1=CCCCC1)c1ccc2c(c1)COC2.
What is the InChIKey of cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine?
The InChIKey is ILDXCEUUNXQCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c16-15(11-4-2-1-3-5-11)12-6-7-13-9-17-10-14(13)8-12/h4,6-8,15H,1-3,5,9-10,16H2.
What are the key properties of cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine?
cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine has a molecular weight of 229.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine is sourced from PubChem (CID 55231459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).