1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine

C16H15ClN2S — CID 65377930

IUPAC1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Cl)c1csc2ccccc12
InChIInChI=1S/C16H15ClN2S/c17-13-6-2-3-7-14(13)19-15(9-18)12-10-20-16-8-4-1-5-11(12)16/h1-8,10,15,19H,9,18H2
InChIKeyTVHCLLQDZFVDJJ-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.67
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine

1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine (PubChem CID 65377930) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine
PubChem CID65377930
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Cl)c1csc2ccccc12
InChIInChI=1S/C16H15ClN2S/c17-13-6-2-3-7-14(13)19-15(9-18)12-10-20-16-8-4-1-5-11(12)16/h1-8,10,15,19H,9,18H2
InChIKeyTVHCLLQDZFVDJJ-UHFFFAOYSA-N
XLogP4.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
1-(1-benzothiophen-3-yl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65378412
1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 114843280
1-(1-benzothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830435
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65386100
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
1-(1-benzothiophen-3-yl)-N-but-2-ynylethane-1,2-diamine
CID 113464571
5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol
CID 107317019
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43492316
N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine (CID 65377930) is 1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine is NCC(Nc1ccccc1Cl)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine?
The InChIKey is TVHCLLQDZFVDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c17-13-6-2-3-7-14(13)19-15(9-18)12-10-20-16-8-4-1-5-11(12)16/h1-8,10,15,19H,9,18H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine?
1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine has a molecular weight of 302.83 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65377930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).