1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine

C12H16F3NO2 — CID 65364910

IUPAC1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCOCOc1ccc(CC(C)N)cc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-8(16)5-9-3-4-11(18-7-17-2)10(6-9)12(13,14)15/h3-4,6,8H,5,7,16H2,1-2H3
InChIKeyGOMAXPDMEIQBAK-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.58
Rot. Bonds5

About 1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine

1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 65364910) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID65364910
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCOCOc1ccc(CC(C)N)cc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-8(16)5-9-3-4-11(18-7-17-2)10(6-9)12(13,14)15/h3-4,6,8H,5,7,16H2,1-2H3
InChIKeyGOMAXPDMEIQBAK-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 55205483
1-[4-pentoxy-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320382
methyl 2-[4-(2-aminopropyl)-2-(trifluoromethyl)phenoxy]acetate
CID 63320686
1-[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320553
4-(methoxymethoxy)-3-(trifluoromethyl)aniline
CID 65365194
1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320730
1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339948
1-[4-ethoxy-3-(trifluoromethyl)phenyl]butan-2-amine;hydrochloride
CID 170890489
1-[3-(methoxymethoxy)phenyl]propan-2-amine
CID 55253645
1-[2-(methoxymethoxy)-5-methylphenyl]propan-2-amine
CID 65364966
1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]butan-2-amine
CID 63320732
methyl (2S)-2-amino-3-[4-methoxy-3-(trifluoromethyl)phenyl]propanoate
CID 95931969

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine (CID 65364910) is 1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine is COCOc1ccc(CC(C)N)cc1C(F)(F)F.
What is the InChIKey of 1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is GOMAXPDMEIQBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-8(16)5-9-3-4-11(18-7-17-2)10(6-9)12(13,14)15/h3-4,6,8H,5,7,16H2,1-2H3.
What are the key properties of 1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine?
1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 263.26 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 65364910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).