4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine

C16H16BrNO — CID 103930811

IUPAC4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccccc1NC1CCc2c(Br)cccc21
InChIInChI=1S/C16H16BrNO/c1-19-16-8-3-2-7-15(16)18-14-10-9-11-12(14)5-4-6-13(11)17/h2-8,14,18H,9-10H2,1H3
InChIKeyVNIGOQKHBNNBBK-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.56
Rot. Bonds3

About 4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine

4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 103930811) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID103930811
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccccc1NC1CCc2c(Br)cccc21
InChIInChI=1S/C16H16BrNO/c1-19-16-8-3-2-7-15(16)18-14-10-9-11-12(14)5-4-6-13(11)17/h2-8,14,18H,9-10H2,1H3
InChIKeyVNIGOQKHBNNBBK-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxybenzonitrile
CID 146294647
N-(2-bromophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067708
4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123661
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123653
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine
CID 103932343
4-bromo-N-[4-[(dimethylamino)methyl]phenyl]-2,3-dihydro-1H-inden-1-amine
CID 103931051
4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine
CID 113336458
4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine
CID 115763577
1-(4-bromo-2,3-dihydro-1H-inden-1-yl)-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 86886139

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine (CID 103930811) is 4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine is COc1ccccc1NC1CCc2c(Br)cccc21.
What is the InChIKey of 4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VNIGOQKHBNNBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-19-16-8-3-2-7-15(16)18-14-10-9-11-12(14)5-4-6-13(11)17/h2-8,14,18H,9-10H2,1H3.
What are the key properties of 4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 318.21 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103930811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).