8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine

C11H14BrNS — CID 43539442

IUPAC8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCNC1CCSc2c(Br)cccc21
InChIInChI=1S/C11H14BrNS/c1-2-13-10-6-7-14-11-8(10)4-3-5-9(11)12/h3-5,10,13H,2,6-7H2,1H3
InChIKeySOZWIZKRUGBGTB-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.60
Rot. Bonds2

About 8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine

8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43539442) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43539442
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCNC1CCSc2c(Br)cccc21
InChIInChI=1S/C11H14BrNS/c1-2-13-10-6-7-14-11-8(10)4-3-5-9(11)12/h3-5,10,13H,2,6-7H2,1H3
InChIKeySOZWIZKRUGBGTB-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine
CID 43539433
8-bromo-N-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539404
N-ethyl-9-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43539246
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115704783
8-bromo-4-fluoro-3,4-dihydro-2H-thiochromene
CID 84728750
7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine
CID 43539443
N-ethyl-1-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82887770
1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 43776271
8-fluoro-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113348557
8-fluoro-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115575511
N-ethyl-9-fluoro-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82886475

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine (CID 43539442) is 8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine is CCNC1CCSc2c(Br)cccc21.
What is the InChIKey of 8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is SOZWIZKRUGBGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c1-2-13-10-6-7-14-11-8(10)4-3-5-9(11)12/h3-5,10,13H,2,6-7H2,1H3.
What are the key properties of 8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine?
8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 272.21 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43539442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).