3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine

C19H21NS — CID 91011346

IUPAC3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCC(C)(Cc1csc2ccccc12)C(N)c1ccccc1
InChIInChI=1S/C19H21NS/c1-19(2,18(20)14-8-4-3-5-9-14)12-15-13-21-17-11-7-6-10-16(15)17/h3-11,13,18H,12,20H2,1-2H3
InChIKeyKZSFQCNLGXIIMW-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.17
Rot. Bonds4

About 3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine

3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine (PubChem CID 91011346) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine
PubChem CID91011346
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCC(C)(Cc1csc2ccccc12)C(N)c1ccccc1
InChIInChI=1S/C19H21NS/c1-19(2,18(20)14-8-4-3-5-9-14)12-15-13-21-17-11-7-6-10-16(15)17/h3-11,13,18H,12,20H2,1-2H3
InChIKeyKZSFQCNLGXIIMW-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
CID 68846114
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
3-(3-bromo-2,2-dimethylpropyl)-1-benzothiophene
CID 66048185
2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 63738676
3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine
CID 65429469
3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 116932204
2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 106506221
2-(1-benzothiophen-3-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 79449938
2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65423179
3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756762
3-N-(1-benzothiophen-3-ylmethyl)-3-methylbutane-1,3-diamine
CID 115134773
1-(1-benzothiophen-3-yl)-2-phenylbutan-2-ol
CID 65146896

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine (CID 91011346) is 3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine is CC(C)(Cc1csc2ccccc12)C(N)c1ccccc1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine?
The InChIKey is KZSFQCNLGXIIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-19(2,18(20)14-8-4-3-5-9-14)12-15-13-21-17-11-7-6-10-16(15)17/h3-11,13,18H,12,20H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine?
3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 91011346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).