2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine

C15H22F3NO2 — CID 106704768

IUPAC2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine
SMILESCc1cccc(CNCC(C)C)c1OCOCC(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-11(2)7-19-8-13-6-4-5-12(3)14(13)21-10-20-9-15(16,17)18/h4-6,11,19H,7-10H2,1-3H3
InChIKeyXMHKWXUGFHIIOI-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.66
Rot. Bonds8

About 2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine

2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine (PubChem CID 106704768) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine
PubChem CID106704768
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine
SMILESCc1cccc(CNCC(C)C)c1OCOCC(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-11(2)7-19-8-13-6-4-5-12(3)14(13)21-10-20-9-15(16,17)18/h4-6,11,19H,7-10H2,1-3H3
InChIKeyXMHKWXUGFHIIOI-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 115954328
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 112610248
N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 112610263
N-[(2-but-3-ynoxy-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 112610235
2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine
CID 112610261
propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954358
2-methyl-N-[[3-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115954356
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
N-[[3-bromo-2-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 64553120
2-methyl-N-[[6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907602
N-[[3-chloro-2-(cyclopropylmethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 106929415
2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62445215

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine (CID 106704768) is 2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine is Cc1cccc(CNCC(C)C)c1OCOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is XMHKWXUGFHIIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-11(2)7-19-8-13-6-4-5-12(3)14(13)21-10-20-9-15(16,17)18/h4-6,11,19H,7-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine?
2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 106704768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).