N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine

C13H16FNS — CID 102972209

IUPACN-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CC(NC2CC2)c2ccc(F)cc2S1
InChIInChI=1S/C13H16FNS/c1-8-6-12(15-10-3-4-10)11-5-2-9(14)7-13(11)16-8/h2,5,7-8,10,12,15H,3-4,6H2,1H3
InChIKeyCSGAKSOINNLLAG-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.50
Rot. Bonds2

About N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine

N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 102972209) has the molecular formula C13H16FNS and a molecular weight of 237.34 g/mol. Its IUPAC name is N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID102972209
Molecular FormulaC13H16FNS
Molecular Weight237.34 g/mol
Exact Mass237.10
IUPAC NameN-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CC(NC2CC2)c2ccc(F)cc2S1
InChIInChI=1S/C13H16FNS/c1-8-6-12(15-10-3-4-10)11-5-2-9(14)7-13(11)16-8/h2,5,7-8,10,12,15H,3-4,6H2,1H3
InChIKeyCSGAKSOINNLLAG-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538869
6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 15713056
N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539210
N-cyclopropyl-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83907357
(6S)-N-cyclohexyl-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81300957
N-cyclooctyl-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530769
N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine
CID 112715902
7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
CID 144911984
ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
CID 144911983
1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine
CID 81297023
[4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol
CID 71915733
N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 103917688

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine (CID 102972209) is N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine is CC1CC(NC2CC2)c2ccc(F)cc2S1.
What is the InChIKey of N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is CSGAKSOINNLLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNS/c1-8-6-12(15-10-3-4-10)11-5-2-9(14)7-13(11)16-8/h2,5,7-8,10,12,15H,3-4,6H2,1H3.
What are the key properties of N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 237.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 102972209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).