N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine

C14H20F3NO — CID 79830845

IUPACN-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine
SMILESCOCCNCCC(C)(C)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H20F3NO/c1-14(2,4-5-18-6-7-19-3)13-11(16)8-10(15)9-12(13)17/h8-9,18H,4-7H2,1-3H3
InChIKeyUBYMKQTVENSKFD-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.01
Rot. Bonds7

About N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine

N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine (PubChem CID 79830845) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine
PubChem CID79830845
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine
SMILESCOCCNCCC(C)(C)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H20F3NO/c1-14(2,4-5-18-6-7-19-3)13-11(16)8-10(15)9-12(13)17/h8-9,18H,4-7H2,1-3H3
InChIKeyUBYMKQTVENSKFD-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-difluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79830186
3-(5-bromo-4-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103396922
2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol
CID 66002495
3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79830598
1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
CID 66003267
3-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79992461
3-(2,6-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023147
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637
3-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79830959
2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine
CID 103290282
3-(3,5-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023408

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine (CID 79830845) is N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine is COCCNCCC(C)(C)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine?
The InChIKey is UBYMKQTVENSKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-14(2,4-5-18-6-7-19-3)13-11(16)8-10(15)9-12(13)17/h8-9,18H,4-7H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine?
N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine is sourced from PubChem (CID 79830845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).