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

C17H24FNO — CID 66360317

IUPACN-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H24FNO/c1-3-17(2,11-19-14-5-6-14)10-15-9-12-8-13(18)4-7-16(12)20-15/h4,7-8,14-15,19H,3,5-6,9-11H2,1-2H3
InChIKeyWRMQCNVCMWEEKI-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.69
Rot. Bonds6

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

N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine (PubChem CID 66360317) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine
PubChem CID66360317
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H24FNO/c1-3-17(2,11-19-14-5-6-14)10-15-9-12-8-13(18)4-7-16(12)20-15/h4,7-8,14-15,19H,3,5-6,9-11H2,1-2H3
InChIKeyWRMQCNVCMWEEKI-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine
CID 66362244
2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 83149361
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine
CID 66362436
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine
CID 66360894
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]cycloheptanamine
CID 66365463
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 66364114
N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62717985
1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364285
2-[2-(bromomethyl)-2-methylbutyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66393523
1-chloro-2-(chloromethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 107867075
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 66364616

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine (CID 66360317) is N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine is CCC(C)(CNC1CC1)CC1Cc2cc(F)ccc2O1.
What is the InChIKey of N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine?
The InChIKey is WRMQCNVCMWEEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-3-17(2,11-19-14-5-6-14)10-15-9-12-8-13(18)4-7-16(12)20-15/h4,7-8,14-15,19H,3,5-6,9-11H2,1-2H3.
What are the key properties of N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine?
N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine has a molecular weight of 277.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 66360317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).