N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine

C17H26F3N — CID 103302785

IUPACN-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine
SMILESCCCCCCCCC(NCC)c1cc(F)c(F)cc1F
InChIInChI=1S/C17H26F3N/c1-3-5-6-7-8-9-10-17(21-4-2)13-11-15(19)16(20)12-14(13)18/h11-12,17,21H,3-10H2,1-2H3
InChIKeyMXDUDPRYGSECJP-UHFFFAOYSA-N
MW301.40 g/mol
LogP5.51
Rot. Bonds10

About N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine

N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine (PubChem CID 103302785) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine
PubChem CID103302785
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC NameN-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine
SMILESCCCCCCCCC(NCC)c1cc(F)c(F)cc1F
InChIInChI=1S/C17H26F3N/c1-3-5-6-7-8-9-10-17(21-4-2)13-11-15(19)16(20)12-14(13)18/h11-12,17,21H,3-10H2,1-2H3
InChIKeyMXDUDPRYGSECJP-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.51
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-ethyl-1-(2,4,5-trifluorophenyl)heptan-1-amine
CID 103302611
N-propyl-1-(2,4,5-trifluorophenyl)octan-1-amine
CID 103303022
N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine
CID 103302863
1-(4-chloro-2,5-difluorophenyl)-N-ethylhexan-1-amine
CID 115837042
1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
CID 55185685
1-(4-bromo-5-chloro-2-fluorophenyl)-N-ethylheptan-1-amine
CID 105398949
1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine
CID 114886331
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-(2,3-difluoro-4-methylphenyl)-N-ethyloctan-1-amine
CID 107515605
1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
CID 79724313
1-(4-bromo-5-chloro-2-fluorophenyl)-N-propylheptan-1-amine
CID 105399125

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine?
The IUPAC name of N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine (CID 103302785) is N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine.
What is the SMILES notation for N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine?
The canonical SMILES for N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine is CCCCCCCCC(NCC)c1cc(F)c(F)cc1F.
What is the InChIKey of N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine?
The InChIKey is MXDUDPRYGSECJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-3-5-6-7-8-9-10-17(21-4-2)13-11-15(19)16(20)12-14(13)18/h11-12,17,21H,3-10H2,1-2H3.
What are the key properties of N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine?
N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine has a molecular weight of 301.40 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine is sourced from PubChem (CID 103302785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).