N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine

C20H20F3NO2 — CID 46976808

IUPACN-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccc2c(c1)OCC(CNCCc1ccc(C(F)(F)F)cc1)=C2
InChIInChI=1S/C20H20F3NO2/c1-25-18-7-4-16-10-15(13-26-19(16)11-18)12-24-9-8-14-2-5-17(6-3-14)20(21,22)23/h2-7,10-11,24H,8-9,12-13H2,1H3
InChIKeyDSNRXAFXXKQPKY-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.32
Rot. Bonds6

About N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine

N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 46976808) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID46976808
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC NameN-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccc2c(c1)OCC(CNCCc1ccc(C(F)(F)F)cc1)=C2
InChIInChI=1S/C20H20F3NO2/c1-25-18-7-4-16-10-15(13-26-19(16)11-18)12-24-9-8-14-2-5-17(6-3-14)20(21,22)23/h2-7,10-11,24H,8-9,12-13H2,1H3
InChIKeyDSNRXAFXXKQPKY-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.32
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

N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 24754485
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 2249781
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111169337
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
2,2-difluoro-N-[2-(4-methoxyphenyl)ethyl]-2-phenylethanamine
CID 116788721
3-[2-(2H-chromen-3-ylmethylamino)ethyl]benzoic acid
CID 166226898
2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774139
N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55021280
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
tert-butyl 2-methyl-2-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]propanoate
CID 59643448

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 46976808) is N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine is COc1ccc2c(c1)OCC(CNCCc1ccc(C(F)(F)F)cc1)=C2.
What is the InChIKey of N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is DSNRXAFXXKQPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-25-18-7-4-16-10-15(13-26-19(16)11-18)12-24-9-8-14-2-5-17(6-3-14)20(21,22)23/h2-7,10-11,24H,8-9,12-13H2,1H3.
What are the key properties of N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 363.38 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-2H-chromen-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 46976808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).