N-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine

C19H21NS — CID 15475174

IUPACN-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2ccccc2)c2sccc12
InChIInChI=1S/C19H21NS/c1-3-20(4-2)14-16-10-11-17(15-8-6-5-7-9-15)19-18(16)12-13-21-19/h5-13H,3-4,14H2,1-2H3
InChIKeyNDZBPQUYPYYBOW-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.41
Rot. Bonds5

About N-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine

N-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine (PubChem CID 15475174) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine
PubChem CID15475174
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC NameN-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2ccccc2)c2sccc12
InChIInChI=1S/C19H21NS/c1-3-20(4-2)14-16-10-11-17(15-8-6-5-7-9-15)19-18(16)12-13-21-19/h5-13H,3-4,14H2,1-2H3
InChIKeyNDZBPQUYPYYBOW-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde
CID 89003105
N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine
CID 171127319
N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine
CID 167662684
4,5-diphenylthieno[3,2-g][1]benzothiole
CID 68617982
N-ethyl-2-methoxy-N-[(5-methyl-2-phenylphenyl)methyl]ethanamine
CID 70967427
5-phenylthieno[3,2-e][1]benzothiol-4-ol
CID 102205778
N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine
CID 1388399
3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-amine
CID 143444393
7-ethyl-5-phenyl-1-benzothiophene
CID 174295161
14-phenyl-4-propyl-3,8-dithiapentacyclo[10.6.0.02,6.07,11.013,18]octadeca-1(18),2(6),4,7(11),9,12,14,16-octaene
CID 176887448
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-benzyl-N-ethylethanamine;ethene
CID 174895763

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine (CID 15475174) is N-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine is CCN(CC)Cc1ccc(-c2ccccc2)c2sccc12.
What is the InChIKey of N-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine?
The InChIKey is NDZBPQUYPYYBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-3-20(4-2)14-16-10-11-17(15-8-6-5-7-9-15)19-18(16)12-13-21-19/h5-13H,3-4,14H2,1-2H3.
What are the key properties of N-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine?
N-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine has a molecular weight of 295.45 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(7-phenyl-1-benzothiophen-4-yl)methyl]ethanamine is sourced from PubChem (CID 15475174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).