N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine

C17H24F3N — CID 115516535

IUPACN-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H24F3N/c18-17(19,20)12-7-13-21-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15-16,21H,2,5-7,10-13H2
InChIKeyWGCIWPTZNFXMNA-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.24
Rot. Bonds6

About N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine

N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine (PubChem CID 115516535) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
PubChem CID115516535
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H24F3N/c18-17(19,20)12-7-13-21-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15-16,21H,2,5-7,10-13H2
InChIKeyWGCIWPTZNFXMNA-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289803
4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020638
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 43099675
N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759566
4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol
CID 103917609
N-[cyclopropyl(thiophen-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326887
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 116534404
N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 67118786

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine (CID 115516535) is N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine is FC(F)(F)CCCNC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine?
The InChIKey is WGCIWPTZNFXMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c18-17(19,20)12-7-13-21-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15-16,21H,2,5-7,10-13H2.
What are the key properties of N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine?
N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 115516535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).