N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine

C15H22F3N — CID 103302863

IUPACN-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine
SMILESCCCCCC(NCCC)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H22F3N/c1-3-5-6-7-15(19-8-4-2)11-9-13(17)14(18)10-12(11)16/h9-10,15,19H,3-8H2,1-2H3
InChIKeyBBWSSRMSSQKEGM-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.72
Rot. Bonds8

About N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine

N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine (PubChem CID 103302863) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine
PubChem CID103302863
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine
SMILESCCCCCC(NCCC)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H22F3N/c1-3-5-6-7-15(19-8-4-2)11-9-13(17)14(18)10-12(11)16/h9-10,15,19H,3-8H2,1-2H3
InChIKeyBBWSSRMSSQKEGM-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
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

N-propyl-1-(2,4,5-trifluorophenyl)octan-1-amine
CID 103303022
N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine
CID 103302785
N-ethyl-1-(2,4,5-trifluorophenyl)heptan-1-amine
CID 103302611
1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine
CID 115833076
1-(4-bromo-5-chloro-2-fluorophenyl)-N-propylheptan-1-amine
CID 105399125
3,3,3-trifluoro-N-propyl-1-(2,4,5-trifluorophenyl)propan-1-amine
CID 103302818
1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine
CID 63416508
1-(4-chloro-2,5-difluorophenyl)-N-ethylhexan-1-amine
CID 115837042
3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103302896
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
1-(2-chloro-4,5-difluorophenyl)-N-propylbutan-1-amine
CID 107476598
1-(4-fluoro-2-methylphenyl)-N-propyloctan-1-amine
CID 81276836

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine?
The IUPAC name of N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine (CID 103302863) is N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine.
What is the SMILES notation for N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine?
The canonical SMILES for N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine is CCCCCC(NCCC)c1cc(F)c(F)cc1F.
What is the InChIKey of N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine?
The InChIKey is BBWSSRMSSQKEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-3-5-6-7-15(19-8-4-2)11-9-13(17)14(18)10-12(11)16/h9-10,15,19H,3-8H2,1-2H3.
What are the key properties of N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine?
N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine is sourced from PubChem (CID 103302863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).