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

C16H24F3N — CID 115849735

IUPAC4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H24F3N/c1-5-10-20-13(8-9-16(2,3)4)11-6-7-12(17)15(19)14(11)18/h6-7,13,20H,5,8-10H2,1-4H3
InChIKeyQIIOSURXEBHOOT-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.97
Rot. Bonds6

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

4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine (PubChem CID 115849735) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
PubChem CID115849735
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H24F3N/c1-5-10-20-13(8-9-16(2,3)4)11-6-7-12(17)15(19)14(11)18/h6-7,13,20H,5,8-10H2,1-4H3
InChIKeyQIIOSURXEBHOOT-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.97
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-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413
N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 79411869
1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63418611
4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 55186996
4-methoxy-N-propyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 65092172
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81305365
1-(2-chloro-3-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849855
1-(2-bromo-3,4-difluorophenyl)-N-propylbutan-1-amine
CID 107539429
3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 102928614
3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 105146576
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 4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine (CID 115849735) is 4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine is CCCNC(CCC(C)(C)C)c1ccc(F)c(F)c1F.
What is the InChIKey of 4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
The InChIKey is QIIOSURXEBHOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-5-10-20-13(8-9-16(2,3)4)11-6-7-12(17)15(19)14(11)18/h6-7,13,20H,5,8-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine is sourced from PubChem (CID 115849735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).