5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine

C16H17BrN2O — CID 167784582

IUPAC5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine
SMILESBrc1cncc(NCCOc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H17BrN2O/c17-14-9-15(11-18-10-14)19-6-7-20-16-5-4-12-2-1-3-13(12)8-16/h4-5,8-11,19H,1-3,6-7H2
InChIKeyXDDARDBZMKIHJO-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.82
Rot. Bonds5

About 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine

5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine (PubChem CID 167784582) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine
PubChem CID167784582
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine
SMILESBrc1cncc(NCCOc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H17BrN2O/c17-14-9-15(11-18-10-14)19-6-7-20-16-5-4-12-2-1-3-13(12)8-16/h4-5,8-11,19H,1-3,6-7H2
InChIKeyXDDARDBZMKIHJO-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine
CID 133319936
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline
CID 62599410
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline
CID 63515935
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
CID 63516362
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
CID 29015190
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 176697938
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine
CID 51120974
6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 63457392
N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine
CID 60679696
N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 113339578

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine (CID 167784582) is 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine is Brc1cncc(NCCOc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine?
The InChIKey is XDDARDBZMKIHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c17-14-9-15(11-18-10-14)19-6-7-20-16-5-4-12-2-1-3-13(12)8-16/h4-5,8-11,19H,1-3,6-7H2.
What are the key properties of 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine?
5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine has a molecular weight of 333.23 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine is sourced from PubChem (CID 167784582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).