6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine

C14H21F3N2O — CID 116535345

IUPAC6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine
SMILESCOc1ccccc1NC(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-13(10-18,8-5-9-14(15,16)17)19-11-6-3-4-7-12(11)20-2/h3-4,6-7,19H,5,8-10,18H2,1-2H3
InChIKeyYUMXPXBPMFNWCE-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.56
Rot. Bonds7

About 6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine

6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine (PubChem CID 116535345) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine
PubChem CID116535345
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine
SMILESCOc1ccccc1NC(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-13(10-18,8-5-9-14(15,16)17)19-11-6-3-4-7-12(11)20-2/h3-4,6-7,19H,5,8-10,18H2,1-2H3
InChIKeyYUMXPXBPMFNWCE-UHFFFAOYSA-N
XLogP3.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyanilino)-2-methylnonan-1-ol
CID 61050086
2-N-(4-bromophenyl)-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 116535351
2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 65379404
2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine
CID 65376902
2-N-(2-bromophenyl)-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 65383861
4-methoxy-2-(2-methoxyanilino)-2,4-dimethylpentan-1-ol
CID 61050474
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline
CID 74337625
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene
CID 54952343
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
2-N-(4-bromo-3-chlorophenyl)-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 107619631

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine?
The IUPAC name of 6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine (CID 116535345) is 6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine.
What is the SMILES notation for 6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine?
The canonical SMILES for 6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine is COc1ccccc1NC(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine?
The InChIKey is YUMXPXBPMFNWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-13(10-18,8-5-9-14(15,16)17)19-11-6-3-4-7-12(11)20-2/h3-4,6-7,19H,5,8-10,18H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine?
6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine is sourced from PubChem (CID 116535345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).