N-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine

C13H21F3N2 — CID 54313571

IUPACN-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
SMILESCNC.CNCCc1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3N.C2H7N/c1-8-5-9(3-4-15-2)7-10(6-8)11(12,13)14;1-3-2/h5-7,15H,3-4H2,1-2H3;3H,1-2H3
InChIKeySMOYBQCVPRZPSP-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.61
Rot. Bonds3

About N-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine

N-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine (PubChem CID 54313571) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is N-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
PubChem CID54313571
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC NameN-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
SMILESCNC.CNCCc1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3N.C2H7N/c1-8-5-9(3-4-15-2)7-10(6-8)11(12,13)14;1-3-2/h5-7,15H,3-4H2,1-2H3;3H,1-2H3
InChIKeySMOYBQCVPRZPSP-UHFFFAOYSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine (CID 54313571) is N-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine is CNC.CNCCc1cc(C)cc(C(F)(F)F)c1.
What is the InChIKey of N-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is SMOYBQCVPRZPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N.C2H7N/c1-8-5-9(3-4-15-2)7-10(6-8)11(12,13)14;1-3-2/h5-7,15H,3-4H2,1-2H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine?
N-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 262.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;N-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 54313571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).