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

C14H14BrNO — CID 43181885

IUPACN-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESBrc1ccc(CNC2CCc3ccccc32)o1
InChIInChI=1S/C14H14BrNO/c15-14-8-6-11(17-14)9-16-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8,13,16H,5,7,9H2
InChIKeyNKPJKPKUGYJKBM-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.82
Rot. Bonds3

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

N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43181885) 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-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43181885
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESBrc1ccc(CNC2CCc3ccccc32)o1
InChIInChI=1S/C14H14BrNO/c15-14-8-6-11(17-14)9-16-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8,13,16H,5,7,9H2
InChIKeyNKPJKPKUGYJKBM-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181898
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 65477774
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181872
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid
CID 104608081
N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 83235273
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43612746
N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
CID 24702173
N-[(5-bromofuran-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727339
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 55454593
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107386387

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 43181885) is N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Brc1ccc(CNC2CCc3ccccc32)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NKPJKPKUGYJKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c15-14-8-6-11(17-14)9-16-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8,13,16H,5,7,9H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 292.18 g/mol, XLogP of 3.82, 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-1-amine is sourced from PubChem (CID 43181885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).