N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine

C15H22FNO — CID 81020121

IUPACN-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
SMILESCOc1ccc(CC(C)CCNC2CC2)cc1F
InChIInChI=1S/C15H22FNO/c1-11(7-8-17-13-4-5-13)9-12-3-6-15(18-2)14(16)10-12/h3,6,10-11,13,17H,4-5,7-9H2,1-2H3
InChIKeyPELNDPSADJIORY-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.15
Rot. Bonds7

About N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine

N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine (PubChem CID 81020121) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
PubChem CID81020121
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
SMILESCOc1ccc(CC(C)CCNC2CC2)cc1F
InChIInChI=1S/C15H22FNO/c1-11(7-8-17-13-4-5-13)9-12-3-6-15(18-2)14(16)10-12/h3,6,10-11,13,17H,4-5,7-9H2,1-2H3
InChIKeyPELNDPSADJIORY-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015306
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81018729
N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 65303943
N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine
CID 112514733
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64506176
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-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 62723615

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine (CID 81020121) is N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine is COc1ccc(CC(C)CCNC2CC2)cc1F.
What is the InChIKey of N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The InChIKey is PELNDPSADJIORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(7-8-17-13-4-5-13)9-12-3-6-15(18-2)14(16)10-12/h3,6,10-11,13,17H,4-5,7-9H2,1-2H3.
What are the key properties of N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine has a molecular weight of 251.34 g/mol, XLogP of 3.15, 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)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 81020121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).