7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine

C15H22F3N — CID 105174240

IUPAC7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine
SMILESCNC(CCCC(F)(F)F)CCc1ccc(C)cc1
InChIInChI=1S/C15H22F3N/c1-12-5-7-13(8-6-12)9-10-14(19-2)4-3-11-15(16,17)18/h5-8,14,19H,3-4,9-11H2,1-2H3
InChIKeyXIVRBCNRXQTKMV-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.25
Rot. Bonds7

About 7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine

7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine (PubChem CID 105174240) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine
PubChem CID105174240
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine
SMILESCNC(CCCC(F)(F)F)CCc1ccc(C)cc1
InChIInChI=1S/C15H22F3N/c1-12-5-7-13(8-6-12)9-10-14(19-2)4-3-11-15(16,17)18/h5-8,14,19H,3-4,9-11H2,1-2H3
InChIKeyXIVRBCNRXQTKMV-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine
CID 105211311
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
CID 115516486
1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 115516577
N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine
CID 105111911
6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
CID 116534570
N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103030182
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
[5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine
CID 105211232
1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 105024000
7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol
CID 115828386
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine
CID 11816793
N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine
CID 105174493

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine?
The IUPAC name of 7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine (CID 105174240) is 7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine.
What is the SMILES notation for 7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine?
The canonical SMILES for 7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine is CNC(CCCC(F)(F)F)CCc1ccc(C)cc1.
What is the InChIKey of 7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine?
The InChIKey is XIVRBCNRXQTKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-12-5-7-13(8-6-12)9-10-14(19-2)4-3-11-15(16,17)18/h5-8,14,19H,3-4,9-11H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine?
7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine has a molecular weight of 273.34 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine is sourced from PubChem (CID 105174240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).