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

C15H13Cl2NO — CID 107148757

IUPACN-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESClc1ccc(NC2COCc3ccccc32)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c16-11-5-6-14(13(17)7-11)18-15-9-19-8-10-3-1-2-4-12(10)15/h1-7,15,18H,8-9H2
InChIKeyLQRBQVKRGBALEL-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.68
Rot. Bonds2

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

N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107148757) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107148757
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC NameN-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESClc1ccc(NC2COCc3ccccc32)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c16-11-5-6-14(13(17)7-11)18-15-9-19-8-10-3-1-2-4-12(10)15/h1-7,15,18H,8-9H2
InChIKeyLQRBQVKRGBALEL-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148779
N-(2,4-dimethylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148719
N-(5-fluoro-2-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148821
N-(3-bromo-4-fluorophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149647
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149523
N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148809
N-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148772
N-(2-bromo-4-nitrophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149127
N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148789
2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide
CID 156906362
N-(3-methoxy-2,4-dimethylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149119
3-(3,4-dihydro-1H-isochromen-4-ylamino)-4-methylbenzoic acid
CID 107149095

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine (CID 107148757) is N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine is Clc1ccc(NC2COCc3ccccc32)c(Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is LQRBQVKRGBALEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c16-11-5-6-14(13(17)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-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine?
N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 294.18 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107148757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).