6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine

C15H21ClFNS — CID 107898706

IUPAC6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCCNC1c2cc(Cl)c(F)cc2CSC1C(C)C
InChIInChI=1S/C15H21ClFNS/c1-4-5-18-14-11-7-12(16)13(17)6-10(11)8-19-15(14)9(2)3/h6-7,9,14-15,18H,4-5,8H2,1-3H3
InChIKeyFFZDANSRQYQMLD-UHFFFAOYSA-N
MW301.86 g/mol
LogP4.79
Rot. Bonds4

About 6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine

6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 107898706) has the molecular formula C15H21ClFNS and a molecular weight of 301.86 g/mol. Its IUPAC name is 6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID107898706
Molecular FormulaC15H21ClFNS
Molecular Weight301.86 g/mol
Exact Mass301.11
IUPAC Name6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCCNC1c2cc(Cl)c(F)cc2CSC1C(C)C
InChIInChI=1S/C15H21ClFNS/c1-4-5-18-14-11-7-12(16)13(17)6-10(11)8-19-15(14)9(2)3/h6-7,9,14-15,18H,4-5,8H2,1-3H3
InChIKeyFFZDANSRQYQMLD-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-N-ethyl-7-fluoro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 107898676
6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356875
8-methoxy-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356884
N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356835
(4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
CID 107898639
8-chloro-3-methyl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82886388
3-ethyl-5,8-difluoro-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356732
5-chloro-8-fluoro-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol
CID 103052051
8-chloro-6-fluoro-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82887495
5,8-dichloro-3-methyl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82888876
3-(2,4-dichloro-5-fluorophenyl)-N-propylbutan-2-amine
CID 66438321
N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
CID 115779199

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of 6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine (CID 107898706) is 6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for 6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for 6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine is CCCNC1c2cc(Cl)c(F)cc2CSC1C(C)C.
What is the InChIKey of 6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is FFZDANSRQYQMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNS/c1-4-5-18-14-11-7-12(16)13(17)6-10(11)8-19-15(14)9(2)3/h6-7,9,14-15,18H,4-5,8H2,1-3H3.
What are the key properties of 6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 301.86 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 107898706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).