2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

C18H27ClFN — CID 105055222

IUPAC2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCNC(Cc1ccc(Cl)cc1F)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H27ClFN/c1-13(2)12-18(8-4-5-9-18)17(21-3)10-14-6-7-15(19)11-16(14)20/h6-7,11,13,17,21H,4-5,8-10,12H2,1-3H3
InChIKeyJGJWPFFCYMLNQZ-UHFFFAOYSA-N
MW311.87 g/mol
LogP5.22
Rot. Bonds6

About 2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (PubChem CID 105055222) has the molecular formula C18H27ClFN and a molecular weight of 311.87 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
PubChem CID105055222
Molecular FormulaC18H27ClFN
Molecular Weight311.87 g/mol
Exact Mass311.18
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCNC(Cc1ccc(Cl)cc1F)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H27ClFN/c1-13(2)12-18(8-4-5-9-18)17(21-3)10-14-6-7-15(19)11-16(14)20/h6-7,11,13,17,21H,4-5,8-10,12H2,1-3H3
InChIKeyJGJWPFFCYMLNQZ-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.87
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105055283
[2-(2,4-difluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105291852
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 114856992
[2-(4-chloro-2-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine
CID 105256152
[2-(5-bromo-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105294936
2-(4-ethylphenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115802983
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 103052717
[2-(4-fluoro-2-methylphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105340855
[2-(4-bromo-2-chlorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105335222
2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
CID 107891760
2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
CID 102867147
2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770042

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (CID 105055222) is 2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is CNC(Cc1ccc(Cl)cc1F)C1(CC(C)C)CCCC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The InChIKey is JGJWPFFCYMLNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFN/c1-13(2)12-18(8-4-5-9-18)17(21-3)10-14-6-7-15(19)11-16(14)20/h6-7,11,13,17,21H,4-5,8-10,12H2,1-3H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine has a molecular weight of 311.87 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is sourced from PubChem (CID 105055222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).