6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine

C14H20F3NO — CID 115516486

IUPAC6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
SMILESCNC(CCCC(F)(F)F)Cc1ccc(OC)cc1
InChIInChI=1S/C14H20F3NO/c1-18-12(4-3-9-14(15,16)17)10-11-5-7-13(19-2)8-6-11/h5-8,12,18H,3-4,9-10H2,1-2H3
InChIKeyCFWHMSZRJZMPOM-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.56
Rot. Bonds7

About 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine

6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine (PubChem CID 115516486) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
PubChem CID115516486
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
SMILESCNC(CCCC(F)(F)F)Cc1ccc(OC)cc1
InChIInChI=1S/C14H20F3NO/c1-18-12(4-3-9-14(15,16)17)10-11-5-7-13(19-2)8-6-11/h5-8,12,18H,3-4,9-10H2,1-2H3
InChIKeyCFWHMSZRJZMPOM-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 79954567
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 115516577
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol
CID 115828386
1-(4-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61065170
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534060
[6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine
CID 105211311
5,5,5-trifluoro-2-[(4-methoxyphenyl)methyl]pentanenitrile
CID 139985627
7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine
CID 105174240
1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 105024000

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine (CID 115516486) is 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine is CNC(CCCC(F)(F)F)Cc1ccc(OC)cc1.
What is the InChIKey of 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine?
The InChIKey is CFWHMSZRJZMPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-18-12(4-3-9-14(15,16)17)10-11-5-7-13(19-2)8-6-11/h5-8,12,18H,3-4,9-10H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine?
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.56, 7 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-methylhexan-2-amine is sourced from PubChem (CID 115516486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).