3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline

C13H17ClFN — CID 107364208

IUPAC3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline
SMILESFc1cc(Cl)cc(NCC2CCCCC2)c1
InChIInChI=1S/C13H17ClFN/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyKQFMUCYBUJOJTN-UHFFFAOYSA-N
MW241.74 g/mol
LogP4.47
Rot. Bonds3

About 3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline

3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline (PubChem CID 107364208) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline
PubChem CID107364208
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline
SMILESFc1cc(Cl)cc(NCC2CCCCC2)c1
InChIInChI=1S/C13H17ClFN/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyKQFMUCYBUJOJTN-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-N-(cyclohexylmethyl)aniline
CID 18778534
3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine
CID 60876329
3-chloro-N-[(3,3-difluorocyclopentyl)methyl]-5-fluoroaniline
CID 114223944
3-chloro-N-(cyclooctylmethyl)-4-fluoroaniline
CID 114207702
3-bromo-N-(cyclobutylmethyl)-5-fluoroaniline
CID 131072578
tert-butyl 3-[(3-chloro-5-fluoroanilino)methyl]piperidine-1-carboxylate
CID 107364244
2,6-dichloro-4-(cycloheptylmethylamino)phenol
CID 107678839
3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691
N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline
CID 59230383
N-(cyclopentylmethyl)-5-fluoropyridin-3-amine
CID 130164803
N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline
CID 104574770
N-(cyclopentylmethyl)-3,4-difluoroaniline
CID 61344637

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline?
The IUPAC name of 3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline (CID 107364208) is 3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline is Fc1cc(Cl)cc(NCC2CCCCC2)c1.
What is the InChIKey of 3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline?
The InChIKey is KQFMUCYBUJOJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2.
What are the key properties of 3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline?
3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline has a molecular weight of 241.74 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline is sourced from PubChem (CID 107364208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).