N-(1-benzothiophen-3-ylmethyl)propan-1-amine

C12H15NS — CID 46785290

IUPACN-(1-benzothiophen-3-ylmethyl)propan-1-amine
SMILESCCCNCc1csc2ccccc12
InChIInChI=1S/C12H15NS/c1-2-7-13-8-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,13H,2,7-8H2,1H3
InChIKeyDQMRNSRCTLSYPW-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.40
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)propan-1-amine

N-(1-benzothiophen-3-ylmethyl)propan-1-amine (PubChem CID 46785290) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)propan-1-amine
PubChem CID46785290
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC NameN-(1-benzothiophen-3-ylmethyl)propan-1-amine
SMILESCCCNCc1csc2ccccc12
InChIInChI=1S/C12H15NS/c1-2-7-13-8-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,13H,2,7-8H2,1H3
InChIKeyDQMRNSRCTLSYPW-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine
CID 115575834
2-(1-benzothiophen-3-ylmethylamino)acetonitrile
CID 115131048
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 62694134
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine
CID 60704446
N-(1-benzothiophen-3-ylmethyl)-2,2-diethoxyethanamine
CID 66977939
ethyl 4-(1-benzothiophen-3-ylmethylamino)butanoate
CID 64578346
N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60705007
2-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylbut-3-en-1-amine
CID 102640890
N-(1-benzothiophen-3-ylmethyl)-3-methylsulfinylbutan-1-amine
CID 115711799
N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)propan-1-amine (CID 46785290) is N-(1-benzothiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)propan-1-amine is CCCNCc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)propan-1-amine?
The InChIKey is DQMRNSRCTLSYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-2-7-13-8-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)propan-1-amine?
N-(1-benzothiophen-3-ylmethyl)propan-1-amine has a molecular weight of 205.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 46785290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).