2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine

C11H14ClNS — CID 117201016

IUPAC2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNCCC1Cc2cc(Cl)ccc2S1
InChIInChI=1S/C11H14ClNS/c1-13-5-4-10-7-8-6-9(12)2-3-11(8)14-10/h2-3,6,10,13H,4-5,7H2,1H3
InChIKeySZSBGKHVWDNXRJ-UHFFFAOYSA-N
MW227.76 g/mol
LogP2.97
Rot. Bonds3

About 2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine

2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine (PubChem CID 117201016) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
PubChem CID117201016
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNCCC1Cc2cc(Cl)ccc2S1
InChIInChI=1S/C11H14ClNS/c1-13-5-4-10-7-8-6-9(12)2-3-11(8)14-10/h2-3,6,10,13H,4-5,7H2,1H3
InChIKeySZSBGKHVWDNXRJ-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]propan-1-amine
CID 117200613
1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one
CID 117200982
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylbutan-1-amine
CID 79224330
2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol
CID 117201381
1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117201005
2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine
CID 18740924
4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline
CID 79222390
3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine
CID 117201027
2-(3-chlorophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 79433944
3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201111
3-(5-hydroxy-2,3-dihydro-1-benzothiophen-2-yl)propanoic acid
CID 117201392
2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 79433827

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine (CID 117201016) is 2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine is CNCCC1Cc2cc(Cl)ccc2S1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine?
The InChIKey is SZSBGKHVWDNXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-13-5-4-10-7-8-6-9(12)2-3-11(8)14-10/h2-3,6,10,13H,4-5,7H2,1H3.
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine?
2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine has a molecular weight of 227.76 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 117201016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).