N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine

C15H13F2NS — CID 61075905

IUPACN-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc(NC2CCSc3ccccc32)c1F
InChIInChI=1S/C15H13F2NS/c16-11-5-3-6-13(15(11)17)18-12-8-9-19-14-7-2-1-4-10(12)14/h1-7,12,18H,8-9H2
InChIKeyGYJNOXBMELSCQS-UHFFFAOYSA-N
MW277.34 g/mol
LogP4.61
Rot. Bonds2

About N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine

N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61075905) has the molecular formula C15H13F2NS and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61075905
Molecular FormulaC15H13F2NS
Molecular Weight277.34 g/mol
Exact Mass277.07
IUPAC NameN-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc(NC2CCSc3ccccc32)c1F
InChIInChI=1S/C15H13F2NS/c16-11-5-3-6-13(15(11)17)18-12-8-9-19-14-7-2-1-4-10(12)14/h1-7,12,18H,8-9H2
InChIKeyGYJNOXBMELSCQS-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62815698
N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 107630252
6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43763363
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-4-fluorobenzoic acid
CID 43728124
N-(2-fluoro-6-nitrophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 81305887
N-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 63452350
N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine
CID 43192381
N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43739214
N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62811074
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-6-fluorobenzonitrile
CID 43778320
N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43107429
N-(2,5-dichloro-4-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 104726014

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 61075905) is N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc(NC2CCSc3ccccc32)c1F.
What is the InChIKey of N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is GYJNOXBMELSCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NS/c16-11-5-3-6-13(15(11)17)18-12-8-9-19-14-7-2-1-4-10(12)14/h1-7,12,18H,8-9H2.
What are the key properties of N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 277.34 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61075905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).