3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine

C13H17F2N — CID 64504263

IUPAC3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(c2c(F)cccc2F)C1
InChIInChI=1S/C13H17F2N/c1-2-16-10-7-6-9(8-10)13-11(14)4-3-5-12(13)15/h3-5,9-10,16H,2,6-8H2,1H3
InChIKeyBYIDGAJQEGQGRE-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.21
Rot. Bonds3

About 3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine

3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine (PubChem CID 64504263) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine
PubChem CID64504263
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(c2c(F)cccc2F)C1
InChIInChI=1S/C13H17F2N/c1-2-16-10-7-6-9(8-10)13-11(14)4-3-5-12(13)15/h3-5,9-10,16H,2,6-8H2,1H3
InChIKeyBYIDGAJQEGQGRE-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-(2-fluoro-3-methoxyphenyl)cyclopentan-1-amine
CID 82812559
(2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen
CID 165141961
N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 64504260
N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64503099
N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine
CID 79995426
1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene
CID 176552656
3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79631248
3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine
CID 64506168
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713995
(2,6-difluorophenyl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 54923672
1-[(2,3-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923818

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine?
The IUPAC name of 3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine (CID 64504263) is 3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine is CCNC1CCC(c2c(F)cccc2F)C1.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine?
The InChIKey is BYIDGAJQEGQGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-2-16-10-7-6-9(8-10)13-11(14)4-3-5-12(13)15/h3-5,9-10,16H,2,6-8H2,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine?
3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 64504263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).