2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine

C14H18ClF2N — CID 114216197

IUPAC2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)C1CCC(F)(F)C1
InChIInChI=1S/C14H18ClF2N/c1-18-13(11-5-6-14(16,17)9-11)8-10-3-2-4-12(15)7-10/h2-4,7,11,13,18H,5-6,8-9H2,1H3
InChIKeyVDTRORMWENKXME-UHFFFAOYSA-N
MW273.75 g/mol
LogP3.91
Rot. Bonds4

About 2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine

2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine (PubChem CID 114216197) has the molecular formula C14H18ClF2N and a molecular weight of 273.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine
PubChem CID114216197
Molecular FormulaC14H18ClF2N
Molecular Weight273.75 g/mol
Exact Mass273.11
IUPAC Name2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)C1CCC(F)(F)C1
InChIInChI=1S/C14H18ClF2N/c1-18-13(11-5-6-14(16,17)9-11)8-10-3-2-4-12(15)7-10/h2-4,7,11,13,18H,5-6,8-9H2,1H3
InChIKeyVDTRORMWENKXME-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
2-(3-chlorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105085979
2-(3-chloro-2-fluorophenyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 102867266
3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63355001
2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65389818
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80705084
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine
CID 64984199
[2-(3-chlorophenyl)-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107193281
[2-(3-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105195049
N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine (CID 114216197) is 2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1)C1CCC(F)(F)C1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine?
The InChIKey is VDTRORMWENKXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N/c1-18-13(11-5-6-14(16,17)9-11)8-10-3-2-4-12(15)7-10/h2-4,7,11,13,18H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine?
2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine has a molecular weight of 273.75 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3,3-difluorocyclopentyl)-N-methylethanamine is sourced from PubChem (CID 114216197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).