N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C13H18F3NO — CID 66275302

IUPACN-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCNCC(OC(C)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C13H18F3NO/c1-9-4-6-11(7-5-9)12(8-17-3)18-10(2)13(14,15)16/h4-7,10,12,17H,8H2,1-3H3
InChIKeyMYYKIZIWVFXZBR-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.22
Rot. Bonds5

About N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 66275302) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID66275302
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCNCC(OC(C)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C13H18F3NO/c1-9-4-6-11(7-5-9)12(8-17-3)18-10(2)13(14,15)16/h4-7,10,12,17H,8H2,1-3H3
InChIKeyMYYKIZIWVFXZBR-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-1-(1,1,1-trifluoropropan-2-yloxy)ethyl]-4-methylbenzene
CID 66276376
N-[2-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
CID 66275084
2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine
CID 106204976
N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine
CID 62110034
2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 62109907
N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66277173
N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
CID 103725392
[2-iodo-1-(1,1,1-trifluoropropan-2-yloxy)ethyl]benzene
CID 114774573
2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 53276085
2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 53276269
(2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 92974659
N-methyl-2-(4-methylphenyl)butan-1-amine
CID 64984808

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 66275302) is N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CNCC(OC(C)C(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is MYYKIZIWVFXZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9-4-6-11(7-5-9)12(8-17-3)18-10(2)13(14,15)16/h4-7,10,12,17H,8H2,1-3H3.
What are the key properties of N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 261.29 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 66275302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).