3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine

C15H22F3N — CID 65304342

IUPAC3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
SMILESCCCNCCC(C)CCc1c(F)cc(F)cc1F
InChIInChI=1S/C15H22F3N/c1-3-7-19-8-6-11(2)4-5-13-14(17)9-12(16)10-15(13)18/h9-11,19H,3-8H2,1-2H3
InChIKeyNZPNJFVQSWGJGH-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.06
Rot. Bonds8

About 3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine

3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine (PubChem CID 65304342) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
PubChem CID65304342
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
SMILESCCCNCCC(C)CCc1c(F)cc(F)cc1F
InChIInChI=1S/C15H22F3N/c1-3-7-19-8-6-11(2)4-5-13-14(17)9-12(16)10-15(13)18/h9-11,19H,3-8H2,1-2H3
InChIKeyNZPNJFVQSWGJGH-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
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,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
CID 65303811
4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64664987
N-ethyl-3-methyl-N'-propylpentane-1,5-diamine
CID 163901497
5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene
CID 58807411
3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 65304249
3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 65303987
4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64666671
1,3,5-trifluoro-2-heptylbenzene
CID 59545279
3-(5-fluoro-2-methylphenyl)-N-propylbutan-1-amine
CID 81019160
3-(3,5-difluorophenyl)-N-propylpropan-1-amine
CID 64504664
N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine
CID 65308506
5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-N-propylpentan-1-amine
CID 65303776

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine?
The IUPAC name of 3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine (CID 65304342) is 3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine is CCCNCCC(C)CCc1c(F)cc(F)cc1F.
What is the InChIKey of 3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine?
The InChIKey is NZPNJFVQSWGJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-3-7-19-8-6-11(2)4-5-13-14(17)9-12(16)10-15(13)18/h9-11,19H,3-8H2,1-2H3.
What are the key properties of 3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine?
3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine is sourced from PubChem (CID 65304342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).