1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine

C15H22FNO2 — CID 55125015

IUPAC1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(OC)c(OC)cc1F)C1CCCC1
InChIInChI=1S/C15H22FNO2/c1-17-15(10-6-4-5-7-10)11-8-13(18-2)14(19-3)9-12(11)16/h8-10,15,17H,4-7H2,1-3H3
InChIKeyFDYZYHXLUREPGL-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.29
Rot. Bonds5

About 1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine

1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 55125015) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
PubChem CID55125015
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(OC)c(OC)cc1F)C1CCCC1
InChIInChI=1S/C15H22FNO2/c1-17-15(10-6-4-5-7-10)11-8-13(18-2)14(19-3)9-12(11)16/h8-10,15,17H,4-7H2,1-3H3
InChIKeyFDYZYHXLUREPGL-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62866756
1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 63509267
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620
1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62587575
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 54880539
1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 65018264
[2-bromo-2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cycloheptane
CID 114458761
1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589052
1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65433147

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine (CID 55125015) is 1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine is CNC(c1cc(OC)c(OC)cc1F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is FDYZYHXLUREPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-17-15(10-6-4-5-7-10)11-8-13(18-2)14(19-3)9-12(11)16/h8-10,15,17H,4-7H2,1-3H3.
What are the key properties of 1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine?
1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 267.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 55125015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).