N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine

C14H20F3N — CID 79411869

IUPACN-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
SMILESCCCCC(NCCC)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H20F3N/c1-3-5-6-12(18-9-4-2)10-7-8-11(15)14(17)13(10)16/h7-8,12,18H,3-6,9H2,1-2H3
InChIKeyALZPWUJEVGRPPD-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.33
Rot. Bonds7

About N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine

N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine (PubChem CID 79411869) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
PubChem CID79411869
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
SMILESCCCCC(NCCC)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H20F3N/c1-3-5-6-12(18-9-4-2)10-7-8-11(15)14(17)13(10)16/h7-8,12,18H,3-6,9H2,1-2H3
InChIKeyALZPWUJEVGRPPD-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-propyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 65092172
4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 55186996
4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 115849735
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 102928614
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413
1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
CID 106645856
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891
3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 105146576
1-(2-bromo-3,4-difluorophenyl)-N-propylbutan-1-amine
CID 107539429
N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 115847145
3-(oxolan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 115855107

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
The IUPAC name of N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine (CID 79411869) is N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine.
What is the SMILES notation for N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
The canonical SMILES for N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine is CCCCC(NCCC)c1ccc(F)c(F)c1F.
What is the InChIKey of N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
The InChIKey is ALZPWUJEVGRPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-3-5-6-12(18-9-4-2)10-7-8-11(15)14(17)13(10)16/h7-8,12,18H,3-6,9H2,1-2H3.
What are the key properties of N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine is sourced from PubChem (CID 79411869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).