6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine

C15H22F3NO — CID 116534560

IUPAC6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine
SMILESCOCc1ccccc1CNC(C)CCCC(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-12(6-5-9-15(16,17)18)19-10-13-7-3-4-8-14(13)11-20-2/h3-4,7-8,12,19H,5-6,9-11H2,1-2H3
InChIKeyVOLMFRPKAYVTRN-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.04
Rot. Bonds8

About 6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine

6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine (PubChem CID 116534560) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine
PubChem CID116534560
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine
SMILESCOCc1ccccc1CNC(C)CCCC(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-12(6-5-9-15(16,17)18)19-10-13-7-3-4-8-14(13)11-20-2/h3-4,7-8,12,19H,5-6,9-11H2,1-2H3
InChIKeyVOLMFRPKAYVTRN-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-6,6,6-trifluorohexan-2-amine
CID 116534105
4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861814
N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861778
3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
CID 65338098
N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
CID 64630766
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 103924687
N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 103291891
6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine
CID 116534120
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
2-[(6-methylheptan-2-ylamino)methyl]phenol
CID 43102859
N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 116534688
N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide
CID 77026376

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine (CID 116534560) is 6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine is COCc1ccccc1CNC(C)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine?
The InChIKey is VOLMFRPKAYVTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-12(6-5-9-15(16,17)18)19-10-13-7-3-4-8-14(13)11-20-2/h3-4,7-8,12,19H,5-6,9-11H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine?
6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine has a molecular weight of 289.34 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine is sourced from PubChem (CID 116534560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).