N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline

C19H22FN — CID 43094793

IUPACN-[cyclohexyl(phenyl)methyl]-2-fluoroaniline
SMILESFc1ccccc1NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H22FN/c20-17-13-7-8-14-18(17)21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,19,21H,2,5-6,11-12H2
InChIKeyYJJAJERIXCKDCG-UHFFFAOYSA-N
MW283.39 g/mol
LogP5.56
Rot. Bonds4

About N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline

N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline (PubChem CID 43094793) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-2-fluoroaniline
PubChem CID43094793
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-[cyclohexyl(phenyl)methyl]-2-fluoroaniline
SMILESFc1ccccc1NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H22FN/c20-17-13-7-8-14-18(17)21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,19,21H,2,5-6,11-12H2
InChIKeyYJJAJERIXCKDCG-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.39
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43763348
N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline
CID 62814505
N-[cyclohexyl(phenyl)methyl]-2-methylpyridin-3-amine
CID 79042914
2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine
CID 43689725
N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline
CID 63418971
2-cyclopentyl-2-(2-fluoroanilino)acetonitrile
CID 62071587
N-[(R)-cyclopropyl(phenyl)methyl]-2-fluoro-4-nitroaniline
CID 94156800
N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648731
2-bromo-N-[cyclopropyl(phenyl)methyl]-5-fluoroaniline
CID 107633312
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79107738
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline (CID 43094793) is N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline is Fc1ccccc1NC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline?
The InChIKey is YJJAJERIXCKDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c20-17-13-7-8-14-18(17)21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,19,21H,2,5-6,11-12H2.
What are the key properties of N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline?
N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline has a molecular weight of 283.39 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 43094793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).