N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine

C14H23NS — CID 114748937

IUPACN-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc2c1C(C)C(C)CC2
InChIInChI=1S/C14H23NS/c1-9(2)15-7-12-8-16-13-6-5-10(3)11(4)14(12)13/h8-11,15H,5-7H2,1-4H3
InChIKeyFGBMMJGTVSIYLW-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.93
Rot. Bonds3

About N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine

N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine (PubChem CID 114748937) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine
PubChem CID114748937
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc2c1C(C)C(C)CC2
InChIInChI=1S/C14H23NS/c1-9(2)15-7-12-8-16-13-6-5-10(3)11(4)14(12)13/h8-11,15H,5-7H2,1-4H3
InChIKeyFGBMMJGTVSIYLW-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine with MolForge

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Related Compounds

N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine
CID 114748939
N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)butan-2-amine
CID 102547507
(2S)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)butan-2-amine
CID 97035252
N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine
CID 114748970
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 55069860
N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine
CID 114748967
N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117184526
N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 114748818
N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62443365
N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178167
N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178182

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine (CID 114748937) is N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine is CC(C)NCc1csc2c1C(C)C(C)CC2.
What is the InChIKey of N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine?
The InChIKey is FGBMMJGTVSIYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-9(2)15-7-12-8-16-13-6-5-10(3)11(4)14(12)13/h8-11,15H,5-7H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine?
N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 114748937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).