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

C17H17NS — CID 65429469

IUPAC3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine
SMILESNCC(Cc1csc2ccccc12)c1ccccc1
InChIInChI=1S/C17H17NS/c18-11-14(13-6-2-1-3-7-13)10-15-12-19-17-9-5-4-8-16(15)17/h1-9,12,14H,10-11,18H2
InChIKeyTVBMQTIFGCOMDO-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.19
Rot. Bonds4

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

3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine (PubChem CID 65429469) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine
PubChem CID65429469
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine
SMILESNCC(Cc1csc2ccccc12)c1ccccc1
InChIInChI=1S/C17H17NS/c18-11-14(13-6-2-1-3-7-13)10-15-12-19-17-9-5-4-8-16(15)17/h1-9,12,14H,10-11,18H2
InChIKeyTVBMQTIFGCOMDO-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-phenylpropyl)-1-benzothiophene
CID 66033225
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
3-[3-bromo-2-(4-fluorophenyl)propyl]-1-benzothiophene
CID 79434071
3-[3-chloro-2-(4-methylphenyl)propyl]-1-benzothiophene
CID 79437262
3-[3-bromo-2-(4-chlorophenyl)propyl]-1-benzothiophene
CID 79434965
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol
CID 63738868
3-(2-methyl-3-phenylpropyl)-1-benzothiophene
CID 4715035
2-amino-3-(1-benzothiophen-3-yl)propanal
CID 23504453
4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine
CID 81028431
3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756762
3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine
CID 91011346

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine (CID 65429469) is 3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine is NCC(Cc1csc2ccccc12)c1ccccc1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine?
The InChIKey is TVBMQTIFGCOMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c18-11-14(13-6-2-1-3-7-13)10-15-12-19-17-9-5-4-8-16(15)17/h1-9,12,14H,10-11,18H2.
What are the key properties of 3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine?
3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine has a molecular weight of 267.40 g/mol, XLogP of 4.19, 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-phenylpropan-1-amine is sourced from PubChem (CID 65429469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).