1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine

C14H19NS — CID 114980128

IUPAC1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc2ccccc2s1
InChIInChI=1S/C14H19NS/c1-3-9-15-12(4-2)14-10-11-7-5-6-8-13(11)16-14/h5-8,10,12,15H,3-4,9H2,1-2H3
InChIKeyYPGXZHGGYKTGCK-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.35
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine

1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine (PubChem CID 114980128) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
PubChem CID114980128
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc2ccccc2s1
InChIInChI=1S/C14H19NS/c1-3-9-15-12(4-2)14-10-11-7-5-6-8-13(11)16-14/h5-8,10,12,15H,3-4,9H2,1-2H3
InChIKeyYPGXZHGGYKTGCK-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 115778262
N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115849242
1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine
CID 105001090
N-[1-(1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064472
N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
CID 105027903
1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine
CID 115835557
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
CID 105009029
1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
CID 115863688
1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 63527754
1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol
CID 113429047

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine (CID 114980128) is 1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine is CCCNC(CC)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine?
The InChIKey is YPGXZHGGYKTGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-9-15-12(4-2)14-10-11-7-5-6-8-13(11)16-14/h5-8,10,12,15H,3-4,9H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine?
1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114980128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).