2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine

C22H22F3NO2 — CID 166130267

IUPAC2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCOc1cc(C(F)(F)F)c(OC)cc1CCNCc1cccc2ccccc12
InChIInChI=1S/C22H22F3NO2/c1-27-20-13-19(22(23,24)25)21(28-2)12-16(20)10-11-26-14-17-8-5-7-15-6-3-4-9-18(15)17/h3-9,12-13,26H,10-11,14H2,1-2H3
InChIKeyWRPLAKNTNLOYBG-UHFFFAOYSA-N
MW389.42 g/mol
LogP5.21
Rot. Bonds7

About 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine

2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine (PubChem CID 166130267) has the molecular formula C22H22F3NO2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine
PubChem CID166130267
Molecular FormulaC22H22F3NO2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCOc1cc(C(F)(F)F)c(OC)cc1CCNCc1cccc2ccccc12
InChIInChI=1S/C22H22F3NO2/c1-27-20-13-19(22(23,24)25)21(28-2)12-16(20)10-11-26-14-17-8-5-7-15-6-3-4-9-18(15)17/h3-9,12-13,26H,10-11,14H2,1-2H3
InChIKeyWRPLAKNTNLOYBG-UHFFFAOYSA-N
XLogP5.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744
2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 165123651
2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 168972893
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid
CID 17367557
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
CID 162430094
2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
CID 10001761
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169285859
N-[2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]ethyl]formamide
CID 162579355
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine (CID 166130267) is 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine is COc1cc(C(F)(F)F)c(OC)cc1CCNCc1cccc2ccccc12.
What is the InChIKey of 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine?
The InChIKey is WRPLAKNTNLOYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO2/c1-27-20-13-19(22(23,24)25)21(28-2)12-16(20)10-11-26-14-17-8-5-7-15-6-3-4-9-18(15)17/h3-9,12-13,26H,10-11,14H2,1-2H3.
What are the key properties of 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine?
2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine has a molecular weight of 389.42 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 166130267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).