3,5-difluoro-N-(2-phenylcyclohexyl)aniline

C18H19F2N — CID 43765027

IUPAC3,5-difluoro-N-(2-phenylcyclohexyl)aniline
SMILESFc1cc(F)cc(NC2CCCCC2c2ccccc2)c1
InChIInChI=1S/C18H19F2N/c19-14-10-15(20)12-16(11-14)21-18-9-5-4-8-17(18)13-6-2-1-3-7-13/h1-3,6-7,10-12,17-18,21H,4-5,8-9H2
InChIKeyVDZDBWQTWFJTPX-UHFFFAOYSA-N
MW287.35 g/mol
LogP5.10
Rot. Bonds3

About 3,5-difluoro-N-(2-phenylcyclohexyl)aniline

3,5-difluoro-N-(2-phenylcyclohexyl)aniline (PubChem CID 43765027) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-N-(2-phenylcyclohexyl)aniline
PubChem CID43765027
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name3,5-difluoro-N-(2-phenylcyclohexyl)aniline
SMILESFc1cc(F)cc(NC2CCCCC2c2ccccc2)c1
InChIInChI=1S/C18H19F2N/c19-14-10-15(20)12-16(11-14)21-18-9-5-4-8-17(18)13-6-2-1-3-7-13/h1-3,6-7,10-12,17-18,21H,4-5,8-9H2
InChIKeyVDZDBWQTWFJTPX-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.35
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline
CID 107364297
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
3-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762869
4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43764911
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclohexan-1-ol
CID 102730953
6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine
CID 116813035
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol
CID 93345900
2,4-dibromo-N-(2-phenylcyclohexyl)aniline
CID 63427209
2,5-dimethyl-N-(2-phenylcyclohexyl)aniline
CID 43765908
3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923141
cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
CID 142660752
4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43758826

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-phenylcyclohexyl)aniline?
The IUPAC name of 3,5-difluoro-N-(2-phenylcyclohexyl)aniline (CID 43765027) is 3,5-difluoro-N-(2-phenylcyclohexyl)aniline.
What is the SMILES notation for 3,5-difluoro-N-(2-phenylcyclohexyl)aniline?
The canonical SMILES for 3,5-difluoro-N-(2-phenylcyclohexyl)aniline is Fc1cc(F)cc(NC2CCCCC2c2ccccc2)c1.
What is the InChIKey of 3,5-difluoro-N-(2-phenylcyclohexyl)aniline?
The InChIKey is VDZDBWQTWFJTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c19-14-10-15(20)12-16(11-14)21-18-9-5-4-8-17(18)13-6-2-1-3-7-13/h1-3,6-7,10-12,17-18,21H,4-5,8-9H2.
What are the key properties of 3,5-difluoro-N-(2-phenylcyclohexyl)aniline?
3,5-difluoro-N-(2-phenylcyclohexyl)aniline has a molecular weight of 287.35 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-phenylcyclohexyl)aniline is sourced from PubChem (CID 43765027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).