N-(1-cyclopropylethyl)-2,6-difluoroaniline

C11H13F2N — CID 43123985

IUPACN-(1-cyclopropylethyl)-2,6-difluoroaniline
SMILESCC(Nc1c(F)cccc1F)C1CC1
InChIInChI=1S/C11H13F2N/c1-7(8-5-6-8)14-11-9(12)3-2-4-10(11)13/h2-4,7-8,14H,5-6H2,1H3
InChIKeyIRMPEFAALCDDPZ-UHFFFAOYSA-N
MW197.23 g/mol
LogP3.18
Rot. Bonds3

About N-(1-cyclopropylethyl)-2,6-difluoroaniline

N-(1-cyclopropylethyl)-2,6-difluoroaniline (PubChem CID 43123985) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,6-difluoroaniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,6-difluoroaniline
PubChem CID43123985
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC NameN-(1-cyclopropylethyl)-2,6-difluoroaniline
SMILESCC(Nc1c(F)cccc1F)C1CC1
InChIInChI=1S/C11H13F2N/c1-7(8-5-6-8)14-11-9(12)3-2-4-10(11)13/h2-4,7-8,14H,5-6H2,1H3
InChIKeyIRMPEFAALCDDPZ-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline
CID 43308670
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
N-(1-cyclopropyl-4-methylpentyl)-2,6-difluoroaniline
CID 114275903
N-(1-cyclopentylethyl)-2-fluoro-6-nitroaniline
CID 81310002
N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline
CID 82816054
2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine
CID 62532486
2-fluoro-N-[1-(oxan-4-yl)ethyl]aniline
CID 115921631
N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
CID 8817126
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline
CID 43773132
N-(1-cyclopropylethyl)-2,3-difluorobenzamide
CID 62648544
1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine
CID 115677001
N-(1-cyclopropylethyl)-2,3-dimethylaniline
CID 43196438

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,6-difluoroaniline?
The IUPAC name of N-(1-cyclopropylethyl)-2,6-difluoroaniline (CID 43123985) is N-(1-cyclopropylethyl)-2,6-difluoroaniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,6-difluoroaniline?
The canonical SMILES for N-(1-cyclopropylethyl)-2,6-difluoroaniline is CC(Nc1c(F)cccc1F)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2,6-difluoroaniline?
The InChIKey is IRMPEFAALCDDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-7(8-5-6-8)14-11-9(12)3-2-4-10(11)13/h2-4,7-8,14H,5-6H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-2,6-difluoroaniline?
N-(1-cyclopropylethyl)-2,6-difluoroaniline has a molecular weight of 197.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,6-difluoroaniline is sourced from PubChem (CID 43123985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).