3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline

C14H19ClFN — CID 64774574

IUPAC3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline
SMILESCC1CCCC(Nc2cccc(Cl)c2F)C1C
InChIInChI=1S/C14H19ClFN/c1-9-5-3-7-12(10(9)2)17-13-8-4-6-11(15)14(13)16/h4,6,8-10,12,17H,3,5,7H2,1-2H3
InChIKeyYMDURKGCZSFOOR-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.72
Rot. Bonds2

About 3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline

3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline (PubChem CID 64774574) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline
PubChem CID64774574
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline
SMILESCC1CCCC(Nc2cccc(Cl)c2F)C1C
InChIInChI=1S/C14H19ClFN/c1-9-5-3-7-12(10(9)2)17-13-8-4-6-11(15)14(13)16/h4,6,8-10,12,17H,3,5,7H2,1-2H3
InChIKeyYMDURKGCZSFOOR-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64762651
2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
CID 43115465
N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline
CID 63536597
3-chloro-N-cyclohexyl-2-fluoroaniline
CID 28968819
N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115
1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8788556
4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline
CID 64761795
[2-[(2,3-dimethylcyclohexyl)amino]phenyl]methanol
CID 64762855
1-(3-chloro-2-methylphenyl)-3-[(1R,2S,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11920775
2-bromo-4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzonitrile
CID 107533085
N-(2,3-dimethylcyclohexyl)-2-(trifluoromethylsulfanyl)aniline
CID 64762204
4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline
CID 107631533

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline?
The IUPAC name of 3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline (CID 64774574) is 3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline.
What is the SMILES notation for 3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline?
The canonical SMILES for 3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline is CC1CCCC(Nc2cccc(Cl)c2F)C1C.
What is the InChIKey of 3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline?
The InChIKey is YMDURKGCZSFOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-9-5-3-7-12(10(9)2)17-13-8-4-6-11(15)14(13)16/h4,6,8-10,12,17H,3,5,7H2,1-2H3.
What are the key properties of 3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline?
3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline has a molecular weight of 255.76 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline is sourced from PubChem (CID 64774574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).