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

C15H14BrNO — CID 107148809

IUPACN-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESBrc1cccc(NC2COCc3ccccc32)c1
InChIInChI=1S/C15H14BrNO/c16-12-5-3-6-13(8-12)17-15-10-18-9-11-4-1-2-7-14(11)15/h1-8,15,17H,9-10H2
InChIKeySQBSUAASJCSLIW-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.13
Rot. Bonds2

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

N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107148809) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107148809
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC NameN-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESBrc1cccc(NC2COCc3ccccc32)c1
InChIInChI=1S/C15H14BrNO/c16-12-5-3-6-13(8-12)17-15-10-18-9-11-4-1-2-7-14(11)15/h1-8,15,17H,9-10H2
InChIKeySQBSUAASJCSLIW-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-fluorophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149647
N-(4-bromo-3-nitrophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149476
N-(3,5-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148779
N-[1-(3-bromophenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148988
N-(4-tert-butylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148755
N-(3-bromophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980512
4-(3,4-dihydro-1H-isochromen-4-ylamino)benzoic acid
CID 107148944
N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148757
N-(2,4-dimethylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148719
N-(2-bromo-4-nitrophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149127
N-(5-fluoro-2-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148821
2-bromo-N-(3-bromophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687029

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine (CID 107148809) is N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine is Brc1cccc(NC2COCc3ccccc32)c1.
What is the InChIKey of N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is SQBSUAASJCSLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-12-5-3-6-13(8-12)17-15-10-18-9-11-4-1-2-7-14(11)15/h1-8,15,17H,9-10H2.
What are the key properties of N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine?
N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 304.19 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107148809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).