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

C16H22FNO — CID 66365463

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
SMILESFc1ccc2c(c1)CC(CNC1CCCCCC1)O2
InChIInChI=1S/C16H22FNO/c17-13-7-8-16-12(9-13)10-15(19-16)11-18-14-5-3-1-2-4-6-14/h7-9,14-15,18H,1-6,10-11H2
InChIKeyHUYJUVGBNTXEMY-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.44
Rot. Bonds3

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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine (PubChem CID 66365463) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
PubChem CID66365463
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
SMILESFc1ccc2c(c1)CC(CNC1CCCCCC1)O2
InChIInChI=1S/C16H22FNO/c17-13-7-8-16-12(9-13)10-15(19-16)11-18-14-5-3-1-2-4-6-14/h7-9,14-15,18H,1-6,10-11H2
InChIKeyHUYJUVGBNTXEMY-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine
CID 66363148
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
CID 66360179
(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 81385411
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 66364114
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
CID 66360582
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359131
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methoxycyclopentan-1-amine
CID 66362950
N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine
CID 66360716
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 66363715
1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66360708
1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364285
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 N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine (CID 66365463) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine is Fc1ccc2c(c1)CC(CNC1CCCCCC1)O2.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine?
The InChIKey is HUYJUVGBNTXEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-13-7-8-16-12(9-13)10-15(19-16)11-18-14-5-3-1-2-4-6-14/h7-9,14-15,18H,1-6,10-11H2.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine has a molecular weight of 263.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine is sourced from PubChem (CID 66365463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).