4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline

C27H30N2O3 — CID 90918575

IUPAC4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline
SMILESCOc1ccc2c(c1N1CCOCC1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C2
InChIInChI=1S/C27H30N2O3/c1-28(2)23-12-10-22(11-13-23)27(21-7-5-4-6-8-21)19-20-9-14-24(30-3)25(26(20)32-27)29-15-17-31-18-16-29/h4-14H,15-19H2,1-3H3
InChIKeyLBLOMWFXNMVOFD-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.48
Rot. Bonds5

About 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline

4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline (PubChem CID 90918575) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline
PubChem CID90918575
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline
SMILESCOc1ccc2c(c1N1CCOCC1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C2
InChIInChI=1S/C27H30N2O3/c1-28(2)23-12-10-22(11-13-23)27(21-7-5-4-6-8-21)19-20-9-14-24(30-3)25(26(20)32-27)29-15-17-31-18-16-29/h4-14H,15-19H2,1-3H3
InChIKeyLBLOMWFXNMVOFD-UHFFFAOYSA-N
XLogP4.48
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
1-N,1-N,4-N-trimethyl-4-N-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]benzene-1,4-diamine
CID 101022137
2-[4-(dimethylamino)phenyl]-2-phenyl-2-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]acetonitrile
CID 15883913
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
N,N-dimethyl-4-[(E)-[(E)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]methyl]aniline
CID 154979796
4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
CID 15868597
4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]-N,N-dimethylaniline
CID 5344420
4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride
CID 2972487
4-[4-(10-methoxy-21,21-dimethyl-11-morpholin-4-yl-5-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-5-yl)phenyl]morpholine
CID 168851518
1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 16674031
[4-(dimethylamino)phenyl]-(4-morpholin-4-ylphenyl)methanone
CID 101130657
1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 155532148

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline (CID 90918575) is 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline is COc1ccc2c(c1N1CCOCC1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C2.
What is the InChIKey of 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline?
The InChIKey is LBLOMWFXNMVOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-28(2)23-12-10-22(11-13-23)27(21-7-5-4-6-8-21)19-20-9-14-24(30-3)25(26(20)32-27)29-15-17-31-18-16-29/h4-14H,15-19H2,1-3H3.
What are the key properties of 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline?
4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline has a molecular weight of 430.55 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 90918575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).