2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine

C14H20F3N — CID 175548510

IUPAC2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine
SMILESCC(C)(CN)CCCCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H20F3N/c1-14(2,9-18)6-4-3-5-10-7-12(16)13(17)8-11(10)15/h7-8H,3-6,9,18H2,1-2H3
InChIKeyXATLKDBAUFRCOL-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.80
Rot. Bonds6

About 2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine

2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine (PubChem CID 175548510) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine
PubChem CID175548510
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine
SMILESCC(C)(CN)CCCCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H20F3N/c1-14(2,9-18)6-4-3-5-10-7-12(16)13(17)8-11(10)15/h7-8H,3-6,9,18H2,1-2H3
InChIKeyXATLKDBAUFRCOL-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

CID 90170880
CID 90170880
5-(2,4-difluoro-5-methylphenyl)-3,3-dimethylpentan-1-amine
CID 79733000
6-(3,4-difluorophenyl)sulfinyl-2,2-dimethylhexan-1-amine
CID 106714797
tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170924
4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine
CID 117327284
triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170821
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826
CID 90174905
CID 90174905
1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene
CID 174855651
2-(4-aminobutyl)-4,5-difluorophenol
CID 117289972
trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane
CID 90174504
6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714748

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine (CID 175548510) is 2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine is CC(C)(CN)CCCCc1cc(F)c(F)cc1F.
What is the InChIKey of 2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine?
The InChIKey is XATLKDBAUFRCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-14(2,9-18)6-4-3-5-10-7-12(16)13(17)8-11(10)15/h7-8H,3-6,9,18H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine?
2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine is sourced from PubChem (CID 175548510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).