N-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine

C15H13Cl2NS — CID 43757237

IUPACN-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine
SMILESClc1ccc(Cl)c(NC2CSCc3ccccc32)c1
InChIInChI=1S/C15H13Cl2NS/c16-11-5-6-13(17)14(7-11)18-15-9-19-8-10-3-1-2-4-12(10)15/h1-7,15,18H,8-9H2
InChIKeyRACKJZGFERTNMN-UHFFFAOYSA-N
MW310.25 g/mol
LogP5.39
Rot. Bonds2

About N-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine

N-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 43757237) has the molecular formula C15H13Cl2NS and a molecular weight of 310.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID43757237
Molecular FormulaC15H13Cl2NS
Molecular Weight310.25 g/mol
Exact Mass309.01
IUPAC NameN-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine
SMILESClc1ccc(Cl)c(NC2CSCc3ccccc32)c1
InChIInChI=1S/C15H13Cl2NS/c16-11-5-6-13(17)14(7-11)18-15-9-19-8-10-3-1-2-4-12(10)15/h1-7,15,18H,8-9H2
InChIKeyRACKJZGFERTNMN-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.25
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 60936497
N-(2-fluoro-5-nitrophenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43785695
N-(2-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43757867
4-(3,4-dihydro-1H-isothiochromen-4-ylamino)-2,5-dimethylphenol
CID 106953930
N-(4-fluoro-3-methylphenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 62810535
N-[2-(difluoromethylsulfanyl)phenyl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 43759283
N-[1-(4-chlorophenyl)ethyl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 43766950
2-[2-(3,4-dihydro-1H-isothiochromen-4-ylamino)phenyl]acetamide
CID 43789658
N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43775070
N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148757
3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-2-methylbenzoic acid
CID 43789407
N-(4-ethylphenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43764362

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine (CID 43757237) is N-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine is Clc1ccc(Cl)c(NC2CSCc3ccccc32)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is RACKJZGFERTNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NS/c16-11-5-6-13(17)14(7-11)18-15-9-19-8-10-3-1-2-4-12(10)15/h1-7,15,18H,8-9H2.
What are the key properties of N-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine?
N-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 310.25 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 43757237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).