N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine

C12H16F3NO2 — CID 115257877

IUPACN-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
SMILESCOc1ccc(CNCC(F)(F)F)c(OC)c1C
InChIInChI=1S/C12H16F3NO2/c1-8-10(17-2)5-4-9(11(8)18-3)6-16-7-12(13,14)15/h4-5,16H,6-7H2,1-3H3
InChIKeyRZMAGWZZFYQZFT-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.66
Rot. Bonds5

About N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine

N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 115257877) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
PubChem CID115257877
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC NameN-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
SMILESCOc1ccc(CNCC(F)(F)F)c(OC)c1C
InChIInChI=1S/C12H16F3NO2/c1-8-10(17-2)5-4-9(11(8)18-3)6-16-7-12(13,14)15/h4-5,16H,6-7H2,1-3H3
InChIKeyRZMAGWZZFYQZFT-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine
CID 115226861
2-[(2,4-dimethoxy-3-methylphenyl)methylamino]acetonitrile
CID 115131002
1-N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200621
1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234740
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
5-[(2,4-dimethoxy-3-methylphenyl)methylamino]pentan-2-one
CID 115236495
1-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136159
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257865
2,2,3-trimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine
CID 102610003
2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 114941178
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208814
2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082654

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine (CID 115257877) is N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine is COc1ccc(CNCC(F)(F)F)c(OC)c1C.
What is the InChIKey of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is RZMAGWZZFYQZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-8-10(17-2)5-4-9(11(8)18-3)6-16-7-12(13,14)15/h4-5,16H,6-7H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine?
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 263.26 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 115257877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).