4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine

C18H21NS — CID 155105891

IUPAC4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine
SMILESCC(C)C1=C(N)c2sccc2C(C)(c2ccccc2)C1
InChIInChI=1S/C18H21NS/c1-12(2)14-11-18(3,13-7-5-4-6-8-13)15-9-10-20-17(15)16(14)19/h4-10,12H,11,19H2,1-3H3
InChIKeyMPQSHCBAJUJIKD-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.78
Rot. Bonds2

About 4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine

4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine (PubChem CID 155105891) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine.

Molecular Properties

Compound Name4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine
PubChem CID155105891
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine
SMILESCC(C)C1=C(N)c2sccc2C(C)(c2ccccc2)C1
InChIInChI=1S/C18H21NS/c1-12(2)14-11-18(3,13-7-5-4-6-8-13)15-9-10-20-17(15)16(14)19/h4-10,12H,11,19H2,1-3H3
InChIKeyMPQSHCBAJUJIKD-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine?
The IUPAC name of 4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine (CID 155105891) is 4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine.
What is the SMILES notation for 4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine?
The canonical SMILES for 4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine is CC(C)C1=C(N)c2sccc2C(C)(c2ccccc2)C1.
What is the InChIKey of 4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine?
The InChIKey is MPQSHCBAJUJIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-12(2)14-11-18(3,13-7-5-4-6-8-13)15-9-10-20-17(15)16(14)19/h4-10,12H,11,19H2,1-3H3.
What are the key properties of 4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine?
4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine has a molecular weight of 283.44 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine is sourced from PubChem (CID 155105891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).