N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

C16H21F4N — CID 106289803

IUPACN-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21F4N/c17-15(18)16(19,20)11-21-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-15,21H,2,5-6,9-11H2
InChIKeyRNMDZCOUSTXOKE-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.80
Rot. Bonds6

About N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 106289803) has the molecular formula C16H21F4N and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID106289803
Molecular FormulaC16H21F4N
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC NameN-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21F4N/c17-15(18)16(19,20)11-21-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-15,21H,2,5-6,9-11H2
InChIKeyRNMDZCOUSTXOKE-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516535
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-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 113350008
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine
CID 115903696

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 106289803) is N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is FC(F)C(F)(F)CNC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is RNMDZCOUSTXOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N/c17-15(18)16(19,20)11-21-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-15,21H,2,5-6,9-11H2.
What are the key properties of N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 303.34 g/mol, XLogP of 4.80, 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]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 106289803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).