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

C16H23NOS — CID 115575834

IUPACN-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine
SMILESCCCCOCCCNCc1csc2ccccc12
InChIInChI=1S/C16H23NOS/c1-2-3-10-18-11-6-9-17-12-14-13-19-16-8-5-4-7-15(14)16/h4-5,7-8,13,17H,2-3,6,9-12H2,1H3
InChIKeyNWDJXGSMDLRIOO-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.20
Rot. Bonds9

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

N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine (PubChem CID 115575834) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine
PubChem CID115575834
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine
SMILESCCCCOCCCNCc1csc2ccccc12
InChIInChI=1S/C16H23NOS/c1-2-3-10-18-11-6-9-17-12-14-13-19-16-8-5-4-7-15(14)16/h4-5,7-8,13,17H,2-3,6,9-12H2,1H3
InChIKeyNWDJXGSMDLRIOO-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60705007
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
ethyl 4-(1-benzothiophen-3-ylmethylamino)butanoate
CID 64578346
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
2-[(3-butoxypropylamino)methyl]aniline
CID 83958629
3-butoxy-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748161
N-(1-benzothiophen-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843966
N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 60705100
1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719584
N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine
CID 60704446
N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 60704248
N-(1-benzothiophen-3-ylmethyl)-2,2-diethoxyethanamine
CID 66977939

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine (CID 115575834) is N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine is CCCCOCCCNCc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine?
The InChIKey is NWDJXGSMDLRIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-3-10-18-11-6-9-17-12-14-13-19-16-8-5-4-7-15(14)16/h4-5,7-8,13,17H,2-3,6,9-12H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine?
N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine is sourced from PubChem (CID 115575834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).