N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine

C17H26FNO2 — CID 65303943

IUPACN-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine
SMILESCOc1cc(F)c(CCC(C)CCNC2CC2)cc1OC
InChIInChI=1S/C17H26FNO2/c1-12(8-9-19-14-6-7-14)4-5-13-10-16(20-2)17(21-3)11-15(13)18/h10-12,14,19H,4-9H2,1-3H3
InChIKeyQHRJFBQGVCJQTD-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.55
Rot. Bonds9

About N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine

N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine (PubChem CID 65303943) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine
PubChem CID65303943
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine
SMILESCOc1cc(F)c(CCC(C)CCNC2CC2)cc1OC
InChIInChI=1S/C17H26FNO2/c1-12(8-9-19-14-6-7-14)4-5-13-10-16(20-2)17(21-3)11-15(13)18/h10-12,14,19H,4-9H2,1-3H3
InChIKeyQHRJFBQGVCJQTD-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine
CID 112514733
N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81020121
N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81018729
N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine
CID 65303656
N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine
CID 81470336
N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine
CID 106659132
N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304300
N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 104662912
2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]oxirane
CID 83922764
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
CID 102620479
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine?
The IUPAC name of N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine (CID 65303943) is N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine is COc1cc(F)c(CCC(C)CCNC2CC2)cc1OC.
What is the InChIKey of N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine?
The InChIKey is QHRJFBQGVCJQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-12(8-9-19-14-6-7-14)4-5-13-10-16(20-2)17(21-3)11-15(13)18/h10-12,14,19H,4-9H2,1-3H3.
What are the key properties of N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine?
N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine has a molecular weight of 295.40 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine is sourced from PubChem (CID 65303943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).