3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine

C15H22F3N — CID 103302896

IUPAC3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H22F3N/c1-4-6-19-15(7-10(3)5-2)11-8-13(17)14(18)9-12(11)16/h8-10,15,19H,4-7H2,1-3H3
InChIKeySTGJWLUFGKDROX-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.58
Rot. Bonds7

About 3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine

3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine (PubChem CID 103302896) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine
PubChem CID103302896
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H22F3N/c1-4-6-19-15(7-10(3)5-2)11-8-13(17)14(18)9-12(11)16/h8-10,15,19H,4-7H2,1-3H3
InChIKeySTGJWLUFGKDROX-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114886503
N-propyl-1-(2,4,5-trifluorophenyl)hexan-1-amine
CID 103302863
3,3,3-trifluoro-N-propyl-1-(2,4,5-trifluorophenyl)propan-1-amine
CID 103302818
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
N-propyl-1-(2,4,5-trifluorophenyl)octan-1-amine
CID 103303022
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874478
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105143692
1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 43496303
1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874372
3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
CID 102841960

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine (CID 103302896) is 3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine is CCCNC(CC(C)CC)c1cc(F)c(F)cc1F.
What is the InChIKey of 3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine?
The InChIKey is STGJWLUFGKDROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-6-19-15(7-10(3)5-2)11-8-13(17)14(18)9-12(11)16/h8-10,15,19H,4-7H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine?
3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine is sourced from PubChem (CID 103302896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).