8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine

C13H18ClNS — CID 115704783

IUPAC8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)CNC1CCSc2c(Cl)cccc21
InChIInChI=1S/C13H18ClNS/c1-9(2)8-15-12-6-7-16-13-10(12)4-3-5-11(13)14/h3-5,9,12,15H,6-8H2,1-2H3
InChIKeyJVKGBWBYDDQYPX-UHFFFAOYSA-N
MW255.81 g/mol
LogP4.12
Rot. Bonds3

About 8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine

8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 115704783) has the molecular formula C13H18ClNS and a molecular weight of 255.81 g/mol. Its IUPAC name is 8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID115704783
Molecular FormulaC13H18ClNS
Molecular Weight255.81 g/mol
Exact Mass255.08
IUPAC Name8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)CNC1CCSc2c(Cl)cccc21
InChIInChI=1S/C13H18ClNS/c1-9(2)8-15-12-6-7-16-13-10(12)4-3-5-11(13)14/h3-5,9,12,15H,6-8H2,1-2H3
InChIKeyJVKGBWBYDDQYPX-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine with MolForge

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Related Compounds

1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 43776271
2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine
CID 83912697
8-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539442
8-fluoro-N-(2-methylsulfinylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115896118
N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740196
9-chloro-N-cyclopropyl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43538862
4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 64912576
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232589
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-methylpropanenitrile
CID 60658495
8-chloro-3,4-dihydro-2H-thiochromene-4-carboxylic acid
CID 82391144
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43178084
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol
CID 103787361

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 115704783) is 8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine is CC(C)CNC1CCSc2c(Cl)cccc21.
What is the InChIKey of 8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is JVKGBWBYDDQYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNS/c1-9(2)8-15-12-6-7-16-13-10(12)4-3-5-11(13)14/h3-5,9,12,15H,6-8H2,1-2H3.
What are the key properties of 8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine?
8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 255.81 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 115704783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).