3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline

C15H21ClFN — CID 107364276

IUPAC3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C15H21ClFN/c1-2-3-11-4-6-14(7-5-11)18-15-9-12(16)8-13(17)10-15/h8-11,14,18H,2-7H2,1H3
InChIKeyXGRVSYQVINYZHP-UHFFFAOYSA-N
MW269.79 g/mol
LogP5.25
Rot. Bonds4

About 3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline

3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline (PubChem CID 107364276) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline
PubChem CID107364276
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C15H21ClFN/c1-2-3-11-4-6-14(7-5-11)18-15-9-12(16)8-13(17)10-15/h8-11,14,18H,2-7H2,1H3
InChIKeyXGRVSYQVINYZHP-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.79
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114452769
3-chloro-5-fluoro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 107363988
3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine
CID 107364181
4-chloro-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423523
N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 103818356
3-N-(4-ethylcyclohexyl)-5-fluorobenzene-1,3-diamine
CID 54955628
3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline
CID 107364123
N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine
CID 65086683
4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline
CID 63425626
3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline
CID 107363930
2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline
CID 28968119

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline?
The IUPAC name of 3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline (CID 107364276) is 3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline is CCCC1CCC(Nc2cc(F)cc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline?
The InChIKey is XGRVSYQVINYZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-3-11-4-6-14(7-5-11)18-15-9-12(16)8-13(17)10-15/h8-11,14,18H,2-7H2,1H3.
What are the key properties of 3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline?
3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline has a molecular weight of 269.79 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline is sourced from PubChem (CID 107364276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).