N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine

C18H21NS2 — CID 79973512

IUPACN-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1CC)c1csc2ccccc12
InChIInChI=1S/C18H21NS2/c1-3-10-19-17(18-13(4-2)9-11-20-18)15-12-21-16-8-6-5-7-14(15)16/h5-9,11-12,17,19H,3-4,10H2,1-2H3
InChIKeyWLPKQGFWYHHPHZ-UHFFFAOYSA-N
MW315.51 g/mol
LogP5.61
Rot. Bonds6

About N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine

N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 79973512) has the molecular formula C18H21NS2 and a molecular weight of 315.51 g/mol. Its IUPAC name is N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID79973512
Molecular FormulaC18H21NS2
Molecular Weight315.51 g/mol
Exact Mass315.11
IUPAC NameN-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1CC)c1csc2ccccc12
InChIInChI=1S/C18H21NS2/c1-3-10-19-17(18-13(4-2)9-11-20-18)15-12-21-16-8-6-5-7-14(15)16/h5-9,11-12,17,19H,3-4,10H2,1-2H3
InChIKeyWLPKQGFWYHHPHZ-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.51
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115853680
N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 43497207
N-[(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302882
N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106684309
methyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699634
ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699635
N-[(3,5-difluorophenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115851656
N-[1-benzothiophen-3-yl-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 115861242
N-[1-benzothiophen-3-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 80533744
N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 105044087
N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 79973511
[(3-ethylthiophen-2-yl)-naphthalen-1-ylmethyl]hydrazine
CID 105301201

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine (CID 79973512) is N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sccc1CC)c1csc2ccccc12.
What is the InChIKey of N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is WLPKQGFWYHHPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS2/c1-3-10-19-17(18-13(4-2)9-11-20-18)15-12-21-16-8-6-5-7-14(15)16/h5-9,11-12,17,19H,3-4,10H2,1-2H3.
What are the key properties of N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 315.51 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79973512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).