N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine

C15H20FNO — CID 113389331

IUPACN-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
SMILESCOc1cccc(F)c1C1(C)CC1CNC1CC1
InChIInChI=1S/C15H20FNO/c1-15(8-10(15)9-17-11-6-7-11)14-12(16)4-3-5-13(14)18-2/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyWBBPYXOSHFCXGU-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.86
Rot. Bonds5

About N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine

N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine (PubChem CID 113389331) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
PubChem CID113389331
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
SMILESCOc1cccc(F)c1C1(C)CC1CNC1CC1
InChIInChI=1S/C15H20FNO/c1-15(8-10(15)9-17-11-6-7-11)14-12(16)4-3-5-13(14)18-2/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyWBBPYXOSHFCXGU-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 62712798
N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 62712800
N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 82974071
trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine
CID 94419555
methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate
CID 170913631
1-(2-fluoro-6-methoxyphenyl)cyclopropan-1-ol
CID 65434652
1-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropan-1-ol
CID 79333022
3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171961468
3-(2-fluoro-6-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961471
[(1R)-2-(2-methoxyphenyl)-2-methylcyclopropyl]methanamine
CID 105445462
N-[(2-fluoro-3-methoxyphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114545992
N-[[2-(2-fluorophenyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine
CID 114229695

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine (CID 113389331) is N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine is COc1cccc(F)c1C1(C)CC1CNC1CC1.
What is the InChIKey of N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine?
The InChIKey is WBBPYXOSHFCXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-15(8-10(15)9-17-11-6-7-11)14-12(16)4-3-5-13(14)18-2/h3-5,10-11,17H,6-9H2,1-2H3.
What are the key properties of N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine?
N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine has a molecular weight of 249.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 113389331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).