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

C14H18BrNO — CID 103901793

IUPACN-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine
SMILESBrc1cccc2c1CCC2NC1CCOCC1
InChIInChI=1S/C14H18BrNO/c15-13-3-1-2-12-11(13)4-5-14(12)16-10-6-8-17-9-7-10/h1-3,10,14,16H,4-9H2
InChIKeyAGZIDGJQJJHDDO-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.20
Rot. Bonds2

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

N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine (PubChem CID 103901793) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine
PubChem CID103901793
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine
SMILESBrc1cccc2c1CCC2NC1CCOCC1
InChIInChI=1S/C14H18BrNO/c15-13-3-1-2-12-11(13)4-5-14(12)16-10-6-8-17-9-7-10/h1-3,10,14,16H,4-9H2
InChIKeyAGZIDGJQJJHDDO-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine
CID 115763577
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine
CID 103911458
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine
CID 115714285
4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846495
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
[(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol
CID 98875815
4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846471
N-cyclooctyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065945
1,4-dibromo-2,3-dihydro-1H-indene
CID 63272450
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115927474
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide
CID 103721645

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine?
The IUPAC name of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine (CID 103901793) is N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine.
What is the SMILES notation for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine?
The canonical SMILES for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine is Brc1cccc2c1CCC2NC1CCOCC1.
What is the InChIKey of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine?
The InChIKey is AGZIDGJQJJHDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-13-3-1-2-12-11(13)4-5-14(12)16-10-6-8-17-9-7-10/h1-3,10,14,16H,4-9H2.
What are the key properties of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine?
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine has a molecular weight of 296.21 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine is sourced from PubChem (CID 103901793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).