1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine

C17H15Cl2NS — CID 63737420

IUPAC1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
SMILESNC(Cc1c(Cl)cccc1Cl)Cc1csc2ccccc12
InChIInChI=1S/C17H15Cl2NS/c18-15-5-3-6-16(19)14(15)9-12(20)8-11-10-21-17-7-2-1-4-13(11)17/h1-7,10,12H,8-9,20H2
InChIKeyADEOLTAWNVTXEG-UHFFFAOYSA-N
MW336.29 g/mol
LogP5.32
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine

1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine (PubChem CID 63737420) has the molecular formula C17H15Cl2NS and a molecular weight of 336.29 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
PubChem CID63737420
Molecular FormulaC17H15Cl2NS
Molecular Weight336.29 g/mol
Exact Mass335.03
IUPAC Name1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
SMILESNC(Cc1c(Cl)cccc1Cl)Cc1csc2ccccc12
InChIInChI=1S/C17H15Cl2NS/c18-15-5-3-6-16(19)14(15)9-12(20)8-11-10-21-17-7-2-1-4-13(11)17/h1-7,10,12H,8-9,20H2
InChIKeyADEOLTAWNVTXEG-UHFFFAOYSA-N
XLogP5.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.29
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine
CID 63737079
2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 115823854
1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105116551
1-(1-benzothiophen-3-yl)heptan-2-amine
CID 115823990
1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135783
2-(1-benzothiophen-3-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 63736733
2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64713790
2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol
CID 65151095
2-amino-3-(1-benzothiophen-3-yl)propanal
CID 23504453
1-(1-benzothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830435
N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline
CID 65468569

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine (CID 63737420) is 1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine is NC(Cc1c(Cl)cccc1Cl)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine?
The InChIKey is ADEOLTAWNVTXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NS/c18-15-5-3-6-16(19)14(15)9-12(20)8-11-10-21-17-7-2-1-4-13(11)17/h1-7,10,12H,8-9,20H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine?
1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine has a molecular weight of 336.29 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine is sourced from PubChem (CID 63737420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).