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

C17H24FNO — CID 66363148

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine
SMILESCC1CCCCCC1NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H24FNO/c1-12-5-3-2-4-6-16(12)19-11-15-10-13-9-14(18)7-8-17(13)20-15/h7-9,12,15-16,19H,2-6,10-11H2,1H3
InChIKeyBEZKWXKTXSXPOQ-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.69
Rot. Bonds3

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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine (PubChem CID 66363148) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine
PubChem CID66363148
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine
SMILESCC1CCCCCC1NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H24FNO/c1-12-5-3-2-4-6-16(12)19-11-15-10-13-9-14(18)7-8-17(13)20-15/h7-9,12,15-16,19H,2-6,10-11H2,1H3
InChIKeyBEZKWXKTXSXPOQ-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine (CID 66363148) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine is CC1CCCCCC1NCC1Cc2cc(F)ccc2O1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine?
The InChIKey is BEZKWXKTXSXPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12-5-3-2-4-6-16(12)19-11-15-10-13-9-14(18)7-8-17(13)20-15/h7-9,12,15-16,19H,2-6,10-11H2,1H3.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine has a molecular weight of 277.38 g/mol, XLogP of 3.69, 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]-2-methylcycloheptan-1-amine is sourced from PubChem (CID 66363148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).