1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine

C17H24ClNO — CID 66362796

IUPAC1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
SMILESCc1ccc2c(c1)CC(CNCC1CCCCC1Cl)O2
InChIInChI=1S/C17H24ClNO/c1-12-6-7-17-14(8-12)9-15(20-17)11-19-10-13-4-2-3-5-16(13)18/h6-8,13,15-16,19H,2-5,9-11H2,1H3
InChIKeyDUBGOKNHLZEXHE-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.69
Rot. Bonds4

About 1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine

1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine (PubChem CID 66362796) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
PubChem CID66362796
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
SMILESCc1ccc2c(c1)CC(CNCC1CCCCC1Cl)O2
InChIInChI=1S/C17H24ClNO/c1-12-6-7-17-14(8-12)9-15(20-17)11-19-10-13-4-2-3-5-16(13)18/h6-8,13,15-16,19H,2-5,9-11H2,1H3
InChIKeyDUBGOKNHLZEXHE-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66360708
2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360655
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
CID 66360179
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
CID 66360582
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 66363715
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107418275
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol
CID 66360581
N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66360006
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]propanamide
CID 66361152
N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66362511
3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66361361

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine (CID 66362796) is 1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine is Cc1ccc2c(c1)CC(CNCC1CCCCC1Cl)O2.
What is the InChIKey of 1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine?
The InChIKey is DUBGOKNHLZEXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-12-6-7-17-14(8-12)9-15(20-17)11-19-10-13-4-2-3-5-16(13)18/h6-8,13,15-16,19H,2-5,9-11H2,1H3.
What are the key properties of 1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine?
1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine has a molecular weight of 293.84 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine is sourced from PubChem (CID 66362796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).