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

C18H19ClFN — CID 107364123

IUPAC3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline
SMILESFc1cc(Cl)cc(NC2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C18H19ClFN/c19-15-10-16(20)12-18(11-15)21-17-8-6-14(7-9-17)13-4-2-1-3-5-13/h1-5,10-12,14,17,21H,6-9H2
InChIKeyTWTOLAOBWLJLNI-UHFFFAOYSA-N
MW303.81 g/mol
LogP5.62
Rot. Bonds3

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

3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline (PubChem CID 107364123) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline
PubChem CID107364123
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline
SMILESFc1cc(Cl)cc(NC2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C18H19ClFN/c19-15-10-16(20)12-18(11-15)21-17-8-6-14(7-9-17)13-4-2-1-3-5-13/h1-5,10-12,14,17,21H,6-9H2
InChIKeyTWTOLAOBWLJLNI-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.81
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691
3-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-5-fluoroaniline
CID 107364256
3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline
CID 107364297
2,5-difluoro-N-(4-phenylcyclohexyl)aniline
CID 29275617
3-chloro-5-fluoro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 107363988
3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline
CID 107364163
N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107364341
3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine
CID 107364181
3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline
CID 107364276
3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline
CID 107582419
3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline
CID 107364179
3-bromo-N-(4-phenylcyclohexyl)aniline
CID 29031587

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline?
The IUPAC name of 3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline (CID 107364123) is 3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline is Fc1cc(Cl)cc(NC2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline?
The InChIKey is TWTOLAOBWLJLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c19-15-10-16(20)12-18(11-15)21-17-8-6-14(7-9-17)13-4-2-1-3-5-13/h1-5,10-12,14,17,21H,6-9H2.
What are the key properties of 3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline?
3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline has a molecular weight of 303.81 g/mol, XLogP of 5.62, 3 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-phenylcyclohexyl)aniline is sourced from PubChem (CID 107364123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).