N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine

C15H19NS — CID 113250231

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
SMILESCC(NC(C)C1CC1)c1cc2ccccc2s1
InChIInChI=1S/C15H19NS/c1-10(12-7-8-12)16-11(2)15-9-13-5-3-4-6-14(13)17-15/h3-6,9-12,16H,7-8H2,1-2H3
InChIKeyDSQJPBZPXIOLCA-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.35
Rot. Bonds4

About N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine

N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine (PubChem CID 113250231) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
PubChem CID113250231
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
SMILESCC(NC(C)C1CC1)c1cc2ccccc2s1
InChIInChI=1S/C15H19NS/c1-10(12-7-8-12)16-11(2)15-9-13-5-3-4-6-14(13)17-15/h3-6,9-12,16H,7-8H2,1-2H3
InChIKeyDSQJPBZPXIOLCA-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 104982876
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 104982899
N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine
CID 115718255
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 104982897
(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-bromophenyl)ethanamine
CID 104982881
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 114909767
N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
CID 104579324
1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991075
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(3-bromophenyl)ethanamine
CID 104982875
2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide
CID 104579257

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine (CID 113250231) is N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine is CC(NC(C)C1CC1)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine?
The InChIKey is DSQJPBZPXIOLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10(12-7-8-12)16-11(2)15-9-13-5-3-4-6-14(13)17-15/h3-6,9-12,16H,7-8H2,1-2H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine?
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine has a molecular weight of 245.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine is sourced from PubChem (CID 113250231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).