N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine

C17H26FNO — CID 115943473

IUPACN-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine
SMILESCC(C)(C)OCCC(CNC1CC1)c1ccccc1F
InChIInChI=1S/C17H26FNO/c1-17(2,3)20-11-10-13(12-19-14-8-9-14)15-6-4-5-7-16(15)18/h4-7,13-14,19H,8-12H2,1-3H3
InChIKeyXONVIHDDZOIXSE-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.87
Rot. Bonds7

About N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine

N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine (PubChem CID 115943473) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine
PubChem CID115943473
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine
SMILESCC(C)(C)OCCC(CNC1CC1)c1ccccc1F
InChIInChI=1S/C17H26FNO/c1-17(2,3)20-11-10-13(12-19-14-8-9-14)15-6-4-5-7-16(15)18/h4-7,13-14,19H,8-12H2,1-3H3
InChIKeyXONVIHDDZOIXSE-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
N-[2-(2-fluorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169179
N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
CID 79424178
N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79448847
N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591568
N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine
CID 107886995
N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
CID 106457197
N-[2-cyclohexyl-2-(2-fluorophenyl)ethyl]cyclopropanamine
CID 82934224
N-[2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79439453
2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591597
4-butoxy-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 79439304
2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine
CID 79439065

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine?
The IUPAC name of N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine (CID 115943473) is N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine is CC(C)(C)OCCC(CNC1CC1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine?
The InChIKey is XONVIHDDZOIXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-17(2,3)20-11-10-13(12-19-14-8-9-14)15-6-4-5-7-16(15)18/h4-7,13-14,19H,8-12H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine?
N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine has a molecular weight of 279.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine is sourced from PubChem (CID 115943473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).