4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline

C14H19ClFN — CID 43786160

IUPAC4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline
SMILESCC(Nc1ccc(Cl)c(F)c1)C1CCCCC1
InChIInChI=1S/C14H19ClFN/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15)14(16)9-12/h7-11,17H,2-6H2,1H3
InChIKeyARXWOXPZTVAWRH-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.86
Rot. Bonds3

About 4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline

4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline (PubChem CID 43786160) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline
PubChem CID43786160
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline
SMILESCC(Nc1ccc(Cl)c(F)c1)C1CCCCC1
InChIInChI=1S/C14H19ClFN/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15)14(16)9-12/h7-11,17H,2-6H2,1H3
InChIKeyARXWOXPZTVAWRH-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
CID 113451928
4-chloro-3-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43721347
3,4-dichloro-N-(1-cyclopropylethyl)aniline
CID 43110972
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline
CID 82864806
4-chloro-N-cyclopentyl-3-fluoroaniline
CID 43721398
N-(1-cyclopentylethyl)-3,4-dimethylaniline
CID 62634053
3-bromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55192209
N-[(1S)-1-cyclopropylethyl]-3-fluoro-4-methoxyaniline
CID 93292866
N-(1-cyclohexylethyl)-1-benzothiophen-5-amine
CID 43781950
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile
CID 107788205

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline?
The IUPAC name of 4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline (CID 43786160) is 4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline.
What is the SMILES notation for 4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline?
The canonical SMILES for 4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline is CC(Nc1ccc(Cl)c(F)c1)C1CCCCC1.
What is the InChIKey of 4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline?
The InChIKey is ARXWOXPZTVAWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15)14(16)9-12/h7-11,17H,2-6H2,1H3.
What are the key properties of 4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline?
4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline has a molecular weight of 255.76 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline is sourced from PubChem (CID 43786160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).