1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine

C18H20F3NO3 — CID 134015070

IUPAC1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3NO3/c1-23-15-9-17(25-3)16(24-2)8-13(15)11-22-10-12-5-4-6-14(7-12)18(19,20)21/h4-9,22H,10-11H2,1-3H3
InChIKeyWASBOHMCMLTLLA-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.02
Rot. Bonds7

About 1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine

1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (PubChem CID 134015070) has the molecular formula C18H20F3NO3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
PubChem CID134015070
Molecular FormulaC18H20F3NO3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3NO3/c1-23-15-9-17(25-3)16(24-2)8-13(15)11-22-10-12-5-4-6-14(7-12)18(19,20)21/h4-9,22H,10-11H2,1-3H3
InChIKeyWASBOHMCMLTLLA-UHFFFAOYSA-N
XLogP4.02
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 119160611
5,6,7-trimethoxy-N,N-dimethyl-3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]quinolin-2-amine
CID 42317885
1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 30629580
N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 29275138
N-[(3,5-dimethoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine;oxalic acid
CID 17367770
3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176
N-[(6-chloro-3-pyridinyl)methyl]-1-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 78895049
N-[(3-chloro-2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115656673
2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 791955
1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 55464693
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989
N-[(3-bromo-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 105400992

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (CID 134015070) is 1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is COc1cc(OC)c(OC)cc1CNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The InChIKey is WASBOHMCMLTLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO3/c1-23-15-9-17(25-3)16(24-2)8-13(15)11-22-10-12-5-4-6-14(7-12)18(19,20)21/h4-9,22H,10-11H2,1-3H3.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine has a molecular weight of 355.36 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 134015070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).