N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine

C17H24FNO — CID 66364114

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCC2Cc3cc(F)ccc3O2)CC1C
InChIInChI=1S/C17H24FNO/c1-11-3-5-15(7-12(11)2)19-10-16-9-13-8-14(18)4-6-17(13)20-16/h4,6,8,11-12,15-16,19H,3,5,7,9-10H2,1-2H3
InChIKeyHWEHGBJIRZHGDA-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.54
Rot. Bonds3

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 66364114) 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]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID66364114
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCC2Cc3cc(F)ccc3O2)CC1C
InChIInChI=1S/C17H24FNO/c1-11-3-5-15(7-12(11)2)19-10-16-9-13-8-14(18)4-6-17(13)20-16/h4,6,8,11-12,15-16,19H,3,5,7,9-10H2,1-2H3
InChIKeyHWEHGBJIRZHGDA-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine
CID 66363148
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]-1-(2-methylcyclohexyl)methanamine
CID 66363715
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629599
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 66363729
1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364285
(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]-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]butan-2-amine
CID 66363891
1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]-N-methylmethanamine
CID 66364150

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine (CID 66364114) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine is CC1CCC(NCC2Cc3cc(F)ccc3O2)CC1C.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is HWEHGBJIRZHGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-11-3-5-15(7-12(11)2)19-10-16-9-13-8-14(18)4-6-17(13)20-16/h4,6,8,11-12,15-16,19H,3,5,7,9-10H2,1-2H3.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 277.38 g/mol, XLogP of 3.54, 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]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 66364114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).