N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine

C16H18FNO — CID 80698952

IUPACN-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine
SMILESFCCOc1ccc2ccccc2c1CNC1CC1
InChIInChI=1S/C16H18FNO/c17-9-10-19-16-8-5-12-3-1-2-4-14(12)15(16)11-18-13-6-7-13/h1-5,8,13,18H,6-7,9-11H2
InChIKeyXPNOYGRGAKPUFY-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.44
Rot. Bonds6

About N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine

N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine (PubChem CID 80698952) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine
PubChem CID80698952
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine
SMILESFCCOc1ccc2ccccc2c1CNC1CC1
InChIInChI=1S/C16H18FNO/c17-9-10-19-16-8-5-12-3-1-2-4-14(12)15(16)11-18-13-6-7-13/h1-5,8,13,18H,6-7,9-11H2
InChIKeyXPNOYGRGAKPUFY-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclopropanamine
CID 4721070
1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol
CID 60888672
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
CID 4721414
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine
CID 4715827
1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene
CID 80696064
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]cyclopentanamine;hydrochloride
CID 17054828
3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 54848926
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride
CID 17296016
1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride
CID 17159055
N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053729
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine
CID 154130289

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine (CID 80698952) is N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine is FCCOc1ccc2ccccc2c1CNC1CC1.
What is the InChIKey of N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine?
The InChIKey is XPNOYGRGAKPUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c17-9-10-19-16-8-5-12-3-1-2-4-14(12)15(16)11-18-13-6-7-13/h1-5,8,13,18H,6-7,9-11H2.
What are the key properties of N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine?
N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine has a molecular weight of 259.32 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80698952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).