1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine

C15H19NS — CID 114378071

IUPAC1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1sc2c(C)cc(C)cc2c1C1CC1
InChIInChI=1S/C15H19NS/c1-9-6-10(2)15-12(7-9)14(11-4-5-11)13(17-15)8-16-3/h6-7,11,16H,4-5,8H2,1-3H3
InChIKeyBLMDJAAMOIAVPT-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.11
Rot. Bonds3

About 1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine

1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine (PubChem CID 114378071) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine
PubChem CID114378071
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1sc2c(C)cc(C)cc2c1C1CC1
InChIInChI=1S/C15H19NS/c1-9-6-10(2)15-12(7-9)14(11-4-5-11)13(17-15)8-16-3/h6-7,11,16H,4-5,8H2,1-3H3
InChIKeyBLMDJAAMOIAVPT-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine (CID 114378071) is 1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine is CNCc1sc2c(C)cc(C)cc2c1C1CC1.
What is the InChIKey of 1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine?
The InChIKey is BLMDJAAMOIAVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-9-6-10(2)15-12(7-9)14(11-4-5-11)13(17-15)8-16-3/h6-7,11,16H,4-5,8H2,1-3H3.
What are the key properties of 1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine?
1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine has a molecular weight of 245.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-5,7-dimethyl-1-benzothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114378071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).