N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine

C17H23NOS — CID 81153718

IUPACN-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2ccsc12)C1(C)CCCO1
InChIInChI=1S/C17H23NOS/c1-3-10-18-16(17(2)9-5-11-19-17)14-7-4-6-13-8-12-20-15(13)14/h4,6-8,12,16,18H,3,5,9-11H2,1-2H3
InChIKeyXKNZOPCKQVIHGK-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.51
Rot. Bonds5

About N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine

N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 81153718) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID81153718
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2ccsc12)C1(C)CCCO1
InChIInChI=1S/C17H23NOS/c1-3-10-18-16(17(2)9-5-11-19-17)14-7-4-6-13-8-12-20-15(13)14/h4,6-8,12,16,18H,3,5,9-11H2,1-2H3
InChIKeyXKNZOPCKQVIHGK-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 114730077
1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 81153078
N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 105021891
N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 105395284
N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
CID 81153084
1-(1-benzothiophen-7-yl)-N-propylpentan-1-amine
CID 81153216
N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105021865
1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762819
1-(1-benzothiophen-7-yl)-N-propylheptan-1-amine
CID 105021936
N-[(4-bromo-5-chloro-2-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 105399198
N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80685124

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine (CID 81153718) is N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1cccc2ccsc12)C1(C)CCCO1.
What is the InChIKey of N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is XKNZOPCKQVIHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-3-10-18-16(17(2)9-5-11-19-17)14-7-4-6-13-8-12-20-15(13)14/h4,6-8,12,16,18H,3,5,9-11H2,1-2H3.
What are the key properties of N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine?
N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81153718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).