N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine

C16H24FNO — CID 81015306

IUPACN-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCOc1ccc(CC(C)C(C)CNC2CC2)cc1F
InChIInChI=1S/C16H24FNO/c1-11(12(2)10-18-14-5-6-14)8-13-4-7-16(19-3)15(17)9-13/h4,7,9,11-12,14,18H,5-6,8,10H2,1-3H3
InChIKeyLQPQRBNGNVMMBR-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.40
Rot. Bonds7

About N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine

N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 81015306) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
PubChem CID81015306
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCOc1ccc(CC(C)C(C)CNC2CC2)cc1F
InChIInChI=1S/C16H24FNO/c1-11(12(2)10-18-14-5-6-14)8-13-4-7-16(19-3)15(17)9-13/h4,7,9,11-12,14,18H,5-6,8,10H2,1-3H3
InChIKeyLQPQRBNGNVMMBR-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016605
N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81020121
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016597
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 62528167
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
[1-cyclooctyl-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105255092
N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55077634
N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 62723615
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine (CID 81015306) is N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine is COc1ccc(CC(C)C(C)CNC2CC2)cc1F.
What is the InChIKey of N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is LQPQRBNGNVMMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11(12(2)10-18-14-5-6-14)8-13-4-7-16(19-3)15(17)9-13/h4,7,9,11-12,14,18H,5-6,8,10H2,1-3H3.
What are the key properties of N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine?
N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine has a molecular weight of 265.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 81015306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).