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

C16H21ClFNO — CID 66360708

IUPAC1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
SMILESFc1ccc2c(c1)CC(CNCC1CCCCC1Cl)O2
InChIInChI=1S/C16H21ClFNO/c17-15-4-2-1-3-11(15)9-19-10-14-8-12-7-13(18)5-6-16(12)20-14/h5-7,11,14-15,19H,1-4,8-10H2
InChIKeyXPAZDBOTYYGZSK-UHFFFAOYSA-N
MW297.80 g/mol
LogP3.52
Rot. Bonds4

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

1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine (PubChem CID 66360708) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is 1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
PubChem CID66360708
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC Name1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
SMILESFc1ccc2c(c1)CC(CNCC1CCCCC1Cl)O2
InChIInChI=1S/C16H21ClFNO/c17-15-4-2-1-3-11(15)9-19-10-14-8-12-7-13(18)5-6-16(12)20-14/h5-7,11,14-15,19H,1-4,8-10H2
InChIKeyXPAZDBOTYYGZSK-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 53.52
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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 66363715
1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66362796
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66361291
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 66363729
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66363725
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 66365064
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 66363121
(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 81385411
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106417792
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol
CID 66360881
N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine
CID 66364918

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine (CID 66360708) is 1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine is Fc1ccc2c(c1)CC(CNCC1CCCCC1Cl)O2.
What is the InChIKey of 1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine?
The InChIKey is XPAZDBOTYYGZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c17-15-4-2-1-3-11(15)9-19-10-14-8-12-7-13(18)5-6-16(12)20-14/h5-7,11,14-15,19H,1-4,8-10H2.
What are the key properties of 1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine?
1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine has a molecular weight of 297.80 g/mol, XLogP of 3.52, 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-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine is sourced from PubChem (CID 66360708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).