6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine

C16H24F3NO — CID 79959286

IUPAC6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCc1ccc(OC)cc1)CCC(F)(F)F
InChIInChI=1S/C16H24F3NO/c1-3-12-20-14(10-11-16(17,18)19)7-4-13-5-8-15(21-2)9-6-13/h5-6,8-9,14,20H,3-4,7,10-12H2,1-2H3
InChIKeyAXYQPLVVARHHGM-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.34
Rot. Bonds9

About 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine

6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine (PubChem CID 79959286) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
PubChem CID79959286
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCc1ccc(OC)cc1)CCC(F)(F)F
InChIInChI=1S/C16H24F3NO/c1-3-12-20-14(10-11-16(17,18)19)7-4-13-5-8-15(21-2)9-6-13/h5-6,8-9,14,20H,3-4,7,10-12H2,1-2H3
InChIKeyAXYQPLVVARHHGM-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine
CID 65446675
1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine
CID 105005908
N-[2-(4-methoxyphenyl)ethyl]octan-4-amine
CID 106024444
4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
CID 61064106
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol
CID 115828386
6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine
CID 64568024
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409
N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine
CID 64566807

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine (CID 79959286) is 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine is CCCNC(CCc1ccc(OC)cc1)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine?
The InChIKey is AXYQPLVVARHHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-3-12-20-14(10-11-16(17,18)19)7-4-13-5-8-15(21-2)9-6-13/h5-6,8-9,14,20H,3-4,7,10-12H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine?
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine has a molecular weight of 303.37 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine is sourced from PubChem (CID 79959286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).