4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline

C19H22FN — CID 43764911

IUPAC4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline
SMILESCc1cc(F)ccc1NC1CCCCC1c1ccccc1
InChIInChI=1S/C19H22FN/c1-14-13-16(20)11-12-18(14)21-19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-4,7-8,11-13,17,19,21H,5-6,9-10H2,1H3
InChIKeyWRHRINHSTSMAOO-UHFFFAOYSA-N
MW283.39 g/mol
LogP5.27
Rot. Bonds3

About 4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline

4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline (PubChem CID 43764911) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline
PubChem CID43764911
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline
SMILESCc1cc(F)ccc1NC1CCCCC1c1ccccc1
InChIInChI=1S/C19H22FN/c1-14-13-16(20)11-12-18(14)21-19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-4,7-8,11-13,17,19,21H,5-6,9-10H2,1H3
InChIKeyWRHRINHSTSMAOO-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.39
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43758826
2,5-dimethyl-N-(2-phenylcyclohexyl)aniline
CID 43765908
4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757052
3,5-difluoro-N-(2-phenylcyclohexyl)aniline
CID 43765027
2,4-dibromo-N-(2-phenylcyclohexyl)aniline
CID 63427209
3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline
CID 107364297
N-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503196
trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol
CID 102730941
6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine
CID 116813035
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43764909
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline?
The IUPAC name of 4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline (CID 43764911) is 4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline is Cc1cc(F)ccc1NC1CCCCC1c1ccccc1.
What is the InChIKey of 4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline?
The InChIKey is WRHRINHSTSMAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-14-13-16(20)11-12-18(14)21-19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-4,7-8,11-13,17,19,21H,5-6,9-10H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline?
4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline has a molecular weight of 283.39 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline is sourced from PubChem (CID 43764911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).