1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine

C12H16F3NO2 — CID 65369124

IUPAC1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCCOCOc1ccc(CNC)cc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-3-17-8-18-11-5-4-9(7-16-2)6-10(11)12(13,14)15/h4-6,16H,3,7-8H2,1-2H3
InChIKeySAJDSQNDAMSMTM-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.80
Rot. Bonds6

About 1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine

1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 65369124) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID65369124
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCCOCOc1ccc(CNC)cc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-3-17-8-18-11-5-4-9(7-16-2)6-10(11)12(13,14)15/h4-6,16H,3,7-8H2,1-2H3
InChIKeySAJDSQNDAMSMTM-UHFFFAOYSA-N
XLogP2.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.80
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

1-[4-(cyclopropylmethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 106929309
N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 55204337
3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol
CID 114492086
N-methyl-1-[3-(trifluoromethyl)-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
CID 116615110
N-methyl-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
CID 63319579
1-ethoxy-4-ethyl-2-(trifluoromethyl)benzene
CID 118314791
1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82925757
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 155970638
N-[[4-ethoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320023
[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 106705149
N-[[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80700225

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 65369124) is 1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine is CCOCOc1ccc(CNC)cc1C(F)(F)F.
What is the InChIKey of 1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is SAJDSQNDAMSMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-3-17-8-18-11-5-4-9(7-16-2)6-10(11)12(13,14)15/h4-6,16H,3,7-8H2,1-2H3.
What are the key properties of 1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 263.26 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 65369124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).