N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline

C14H19F2N — CID 82816054

IUPACN-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(NC(C)C2CCCC2)c1F
InChIInChI=1S/C14H19F2N/c1-9-7-8-12(15)14(13(9)16)17-10(2)11-5-3-4-6-11/h7-8,10-11,17H,3-6H2,1-2H3
InChIKeyOAYFXYUWTLTVMO-UHFFFAOYSA-N
MW239.31 g/mol
LogP4.26
Rot. Bonds3

About N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline

N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline (PubChem CID 82816054) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline
PubChem CID82816054
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(NC(C)C2CCCC2)c1F
InChIInChI=1S/C14H19F2N/c1-9-7-8-12(15)14(13(9)16)17-10(2)11-5-3-4-6-11/h7-8,10-11,17H,3-6H2,1-2H3
InChIKeyOAYFXYUWTLTVMO-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline
CID 82818122
2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine
CID 62532486
N-(1-cyclopentylethyl)-3,4-dimethylaniline
CID 62634053
N-(1-cyclopentylethyl)-2-fluoro-6-nitroaniline
CID 81310002
2-chloro-N-(1-cyclopentylethyl)-6-methylaniline
CID 66252662
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
CID 63424276
3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
CID 113451928
N-(1-cyclopentylethyl)-2-ethyl-6-methylaniline
CID 63448490
N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline
CID 55193341
2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline
CID 82815625
2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 82818453

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline?
The IUPAC name of N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline (CID 82816054) is N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline.
What is the SMILES notation for N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline?
The canonical SMILES for N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline is Cc1ccc(F)c(NC(C)C2CCCC2)c1F.
What is the InChIKey of N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline?
The InChIKey is OAYFXYUWTLTVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-9-7-8-12(15)14(13(9)16)17-10(2)11-5-3-4-6-11/h7-8,10-11,17H,3-6H2,1-2H3.
What are the key properties of N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline?
N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline has a molecular weight of 239.31 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline is sourced from PubChem (CID 82816054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).