N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine

C22H27F3N2O3 — CID 86879709

IUPACN-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
SMILESCOc1cc(CNC(CN2CCOCC2)c2ccccc2)ccc1OCC(F)(F)F
InChIInChI=1S/C22H27F3N2O3/c1-28-21-13-17(7-8-20(21)30-16-22(23,24)25)14-26-19(18-5-3-2-4-6-18)15-27-9-11-29-12-10-27/h2-8,13,19,26H,9-12,14-16H2,1H3
InChIKeyQIXCDMLDNFHBBK-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.80
Rot. Bonds9

About N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine

N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine (PubChem CID 86879709) has the molecular formula C22H27F3N2O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine.

Molecular Properties

Compound NameN-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
PubChem CID86879709
Molecular FormulaC22H27F3N2O3
Molecular Weight424.46 g/mol
Exact Mass424.20
IUPAC NameN-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
SMILESCOc1cc(CNC(CN2CCOCC2)c2ccccc2)ccc1OCC(F)(F)F
InChIInChI=1S/C22H27F3N2O3/c1-28-21-13-17(7-8-20(21)30-16-22(23,24)25)14-26-19(18-5-3-2-4-6-18)15-27-9-11-29-12-10-27/h2-8,13,19,26H,9-12,14-16H2,1H3
InChIKeyQIXCDMLDNFHBBK-UHFFFAOYSA-N
XLogP3.80
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78825398
N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78823600
3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 86879732
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(oxolan-2-yl)ethanamine
CID 119106728
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-thiophen-2-ylpropan-1-amine
CID 119110315
2-(2-methoxyphenoxy)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18103834
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 119111277
N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 112804329
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848825
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 86886112
1-[4-(ethylaminomethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45240559
(2S)-1-[2-methoxy-4-[(2-phenoxyethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 29027193

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine?
The IUPAC name of N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine (CID 86879709) is N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine.
What is the SMILES notation for N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine?
The canonical SMILES for N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine is COc1cc(CNC(CN2CCOCC2)c2ccccc2)ccc1OCC(F)(F)F.
What is the InChIKey of N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine?
The InChIKey is QIXCDMLDNFHBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O3/c1-28-21-13-17(7-8-20(21)30-16-22(23,24)25)14-26-19(18-5-3-2-4-6-18)15-27-9-11-29-12-10-27/h2-8,13,19,26H,9-12,14-16H2,1H3.
What are the key properties of N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine?
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine has a molecular weight of 424.46 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine is sourced from PubChem (CID 86879709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).