2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine

C18H21NS — CID 105154978

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2Cc3ccccc3S2)cc1C
InChIInChI=1S/C18H21NS/c1-11-8-13(3)15(9-12(11)2)18(19)17-10-14-6-4-5-7-16(14)20-17/h4-9,17-18H,10,19H2,1-3H3
InChIKeyLJHIRYABLTWPHL-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.33
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine

2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine (PubChem CID 105154978) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine
PubChem CID105154978
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2Cc3ccccc3S2)cc1C
InChIInChI=1S/C18H21NS/c1-11-8-13(3)15(9-12(11)2)18(19)17-10-14-6-4-5-7-16(14)20-17/h4-9,17-18H,10,19H2,1-3H3
InChIKeyLJHIRYABLTWPHL-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105143996
2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine
CID 105096694
2,3-dihydro-1-benzothiophen-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146408
2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine
CID 105087837
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 105145502
2,3-dihydro-1-benzothiophen-2-yl-(3-ethyltriazol-4-yl)methanamine
CID 114213470
2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol
CID 105091980
2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine
CID 105144289
2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol
CID 105093619
2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine
CID 105098031
cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 106657385
1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine
CID 114285063

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine (CID 105154978) is 2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)C2Cc3ccccc3S2)cc1C.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is LJHIRYABLTWPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-11-8-13(3)15(9-12(11)2)18(19)17-10-14-6-4-5-7-16(14)20-17/h4-9,17-18H,10,19H2,1-3H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine?
2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 283.44 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 105154978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).