N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine

C20H26F2N2O4S — CID 47008131

IUPACN-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
SMILESCOc1cc(CNCC(c2cccs2)N2CCOCC2)cc(OC)c1OC(F)F
InChIInChI=1S/C20H26F2N2O4S/c1-25-16-10-14(11-17(26-2)19(16)28-20(21)22)12-23-13-15(18-4-3-9-29-18)24-5-7-27-8-6-24/h3-4,9-11,15,20,23H,5-8,12-13H2,1-2H3
InChIKeyRGXSBJJHBFEZJE-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.53
Rot. Bonds10

About N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine

N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine (PubChem CID 47008131) has the molecular formula C20H26F2N2O4S and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
PubChem CID47008131
Molecular FormulaC20H26F2N2O4S
Molecular Weight428.50 g/mol
Exact Mass428.16
IUPAC NameN-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
SMILESCOc1cc(CNCC(c2cccs2)N2CCOCC2)cc(OC)c1OC(F)F
InChIInChI=1S/C20H26F2N2O4S/c1-25-16-10-14(11-17(26-2)19(16)28-20(21)22)12-23-13-15(18-4-3-9-29-18)24-5-7-27-8-6-24/h3-4,9-11,15,20,23H,5-8,12-13H2,1-2H3
InChIKeyRGXSBJJHBFEZJE-UHFFFAOYSA-N
XLogP3.53
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine;hydrochloride
CID 47008130
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 43005262
3,4,5-trimethoxy-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 9094127
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111201709
N-[(2-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
CID 16831449
2,6-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 16831434
6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one
CID 9265997
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283797
3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
CID 119160582
3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18150850
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111214179
N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 110826727

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The IUPAC name of N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine (CID 47008131) is N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine is COc1cc(CNCC(c2cccs2)N2CCOCC2)cc(OC)c1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The InChIKey is RGXSBJJHBFEZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O4S/c1-25-16-10-14(11-17(26-2)19(16)28-20(21)22)12-23-13-15(18-4-3-9-29-18)24-5-7-27-8-6-24/h3-4,9-11,15,20,23H,5-8,12-13H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine has a molecular weight of 428.50 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 47008131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).