N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine

C14H14BrNO — CID 113268596

IUPACN-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESBrc1ccc(CNC2Cc3ccccc3C2)o1
InChIInChI=1S/C14H14BrNO/c15-14-6-5-13(17-14)9-16-12-7-10-3-1-2-4-11(10)8-12/h1-6,12,16H,7-9H2
InChIKeyMCSQJGPWSLZOHP-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.30
Rot. Bonds3

About N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine

N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 113268596) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID113268596
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESBrc1ccc(CNC2Cc3ccccc3C2)o1
InChIInChI=1S/C14H14BrNO/c15-14-6-5-13(17-14)9-16-12-7-10-3-1-2-4-11(10)8-12/h1-6,12,16H,7-9H2
InChIKeyMCSQJGPWSLZOHP-UHFFFAOYSA-N
XLogP3.30
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-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

N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181885
N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine
CID 131204068
N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675593
N-[(5-bromofuran-2-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103527272
N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103527317
N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747402
N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine
CID 165457967
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 114008920
N-(furan-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 115711462
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 103830750
N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55386970

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 113268596) is N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine is Brc1ccc(CNC2Cc3ccccc3C2)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is MCSQJGPWSLZOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c15-14-6-5-13(17-14)9-16-12-7-10-3-1-2-4-11(10)8-12/h1-6,12,16H,7-9H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 292.18 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 113268596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).