N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine

C15H22F3N — CID 65308506

IUPACN-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine
SMILESCC(C)NCCCCCCc1c(F)cc(F)cc1F
InChIInChI=1S/C15H22F3N/c1-11(2)19-8-6-4-3-5-7-13-14(17)9-12(16)10-15(13)18/h9-11,19H,3-8H2,1-2H3
InChIKeyUNQPYIKGQNRONH-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.20
Rot. Bonds8

About N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine

N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine (PubChem CID 65308506) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine
PubChem CID65308506
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine
SMILESCC(C)NCCCCCCc1c(F)cc(F)cc1F
InChIInChI=1S/C15H22F3N/c1-11(2)19-8-6-4-3-5-7-13-14(17)9-12(16)10-15(13)18/h9-11,19H,3-8H2,1-2H3
InChIKeyUNQPYIKGQNRONH-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.20
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

N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826
6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 79733100
1,3,5-trifluoro-2-heptylbenzene
CID 59545279
4-(3-bromo-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 79709686
4-(3-chloro-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 114454859
6-(2,4,6-trifluorophenyl)hexan-2-ol
CID 174718688
6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308314
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
4-(2-chloro-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 102620448
5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine
CID 65305205
trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174592
N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
CID 65303811

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine?
The IUPAC name of N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine (CID 65308506) is N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine.
What is the SMILES notation for N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine?
The canonical SMILES for N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine is CC(C)NCCCCCCc1c(F)cc(F)cc1F.
What is the InChIKey of N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine?
The InChIKey is UNQPYIKGQNRONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-11(2)19-8-6-4-3-5-7-13-14(17)9-12(16)10-15(13)18/h9-11,19H,3-8H2,1-2H3.
What are the key properties of N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine?
N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine is sourced from PubChem (CID 65308506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).