6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine

C15H22F3NO — CID 64568024

IUPAC6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine
SMILESCCCNC(CCOc1ccccc1)CCC(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-2-11-19-13(8-10-15(16,17)18)9-12-20-14-6-4-3-5-7-14/h3-7,13,19H,2,8-12H2,1H3
InChIKeyCSKBSOKDDDPXGO-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.17
Rot. Bonds9

About 6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine

6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine (PubChem CID 64568024) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine
PubChem CID64568024
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine
SMILESCCCNC(CCOc1ccccc1)CCC(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-2-11-19-13(8-10-15(16,17)18)9-12-20-14-6-4-3-5-7-14/h3-7,13,19H,2,8-12H2,1H3
InChIKeyCSKBSOKDDDPXGO-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenoxy-N-propylnonan-3-amine
CID 63414499
N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine
CID 64566607
1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine
CID 63414368
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine
CID 107048305
4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol
CID 64804364
1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine
CID 60798313
5-methoxy-1-phenoxy-N-propylpentan-2-amine
CID 112688298
1-phenoxy-N-propyldecan-2-amine
CID 63416663
4-methyl-7-phenoxy-N-propylheptan-3-amine
CID 63560800
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine (CID 64568024) is 6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine is CCCNC(CCOc1ccccc1)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine?
The InChIKey is CSKBSOKDDDPXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-2-11-19-13(8-10-15(16,17)18)9-12-20-14-6-4-3-5-7-14/h3-7,13,19H,2,8-12H2,1H3.
What are the key properties of 6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine?
6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine has a molecular weight of 289.34 g/mol, XLogP of 4.17, 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-phenoxy-N-propylhexan-3-amine is sourced from PubChem (CID 64568024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).