1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine

C18H21NS2 — CID 114909767

IUPAC1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NC(C)c2cc3ccccc3s2)c(C)s1
InChIInChI=1S/C18H21NS2/c1-11-9-16(14(4)20-11)12(2)19-13(3)18-10-15-7-5-6-8-17(15)21-18/h5-10,12-13,19H,1-4H3
InChIKeyGIKJBFZWPSUUEW-UHFFFAOYSA-N
MW315.51 g/mol
LogP5.99
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine

1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine (PubChem CID 114909767) has the molecular formula C18H21NS2 and a molecular weight of 315.51 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
PubChem CID114909767
Molecular FormulaC18H21NS2
Molecular Weight315.51 g/mol
Exact Mass315.11
IUPAC Name1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NC(C)c2cc3ccccc3s2)c(C)s1
InChIInChI=1S/C18H21NS2/c1-11-9-16(14(4)20-11)12(2)19-13(3)18-10-15-7-5-6-8-17(15)21-18/h5-10,12-13,19H,1-4H3
InChIKeyGIKJBFZWPSUUEW-UHFFFAOYSA-N
XLogP5.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.51
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 104982876
(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-bromophenyl)ethanamine
CID 104982881
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-thiophen-2-ylethanamine
CID 43206081
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 104982897
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(3-bromophenyl)ethanamine
CID 104982875
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4,6-trimethylaniline
CID 114909796

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine (CID 114909767) is 1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine is Cc1cc(C(C)NC(C)c2cc3ccccc3s2)c(C)s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine?
The InChIKey is GIKJBFZWPSUUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS2/c1-11-9-16(14(4)20-11)12(2)19-13(3)18-10-15-7-5-6-8-17(15)21-18/h5-10,12-13,19H,1-4H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine?
1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine has a molecular weight of 315.51 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine is sourced from PubChem (CID 114909767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).