2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine

C14H17ClFNO — CID 66361291

IUPAC2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
SMILESFc1ccc2c(c1)CC(CNCC(Cl)C1CC1)O2
InChIInChI=1S/C14H17ClFNO/c15-13(9-1-2-9)8-17-7-12-6-10-5-11(16)3-4-14(10)18-12/h3-5,9,12-13,17H,1-2,6-8H2
InChIKeyTUSFXRUJUCBQIN-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.74
Rot. Bonds5

About 2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine

2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 66361291) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID66361291
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
SMILESFc1ccc2c(c1)CC(CNCC(Cl)C1CC1)O2
InChIInChI=1S/C14H17ClFNO/c15-13(9-1-2-9)8-17-7-12-6-10-5-11(16)3-4-14(10)18-12/h3-5,9,12-13,17H,1-2,6-8H2
InChIKeyTUSFXRUJUCBQIN-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.74
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]-2,3-dimethylbutan-1-amine
CID 66363725
1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364285
1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66360708
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
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 66363729
2-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]hexan-1-amine
CID 107820044
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 66363715
N-[(2-chlorophenyl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66366030
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol
CID 107230638
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 66365861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine (CID 66361291) is 2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine is Fc1ccc2c(c1)CC(CNCC(Cl)C1CC1)O2.
What is the InChIKey of 2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is TUSFXRUJUCBQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-13(9-1-2-9)8-17-7-12-6-10-5-11(16)3-4-14(10)18-12/h3-5,9,12-13,17H,1-2,6-8H2.
What are the key properties of 2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 269.75 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 66361291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).