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

C14H14BrNS — CID 43181898

IUPACN-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESBrc1ccc(CNC2CCc3ccccc32)s1
InChIInChI=1S/C14H14BrNS/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
InChIKeyVYNACOHBPSCLCP-UHFFFAOYSA-N
MW308.24 g/mol
LogP4.29
Rot. Bonds3

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

N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43181898) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43181898
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESBrc1ccc(CNC2CCc3ccccc32)s1
InChIInChI=1S/C14H14BrNS/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
InChIKeyVYNACOHBPSCLCP-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromothiophen-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 54900064
N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181885
N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
CID 65024641
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102831002
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 54897773
N-[(5-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)cyclobutan-1-amine
CID 63452021
5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid
CID 20890238
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
3-[(5-bromothiophen-2-yl)methylamino]oxolan-2-one
CID 43824126
N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 83235273
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]thiophene-3-carbonitrile
CID 79544753

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 43181898) is N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Brc1ccc(CNC2CCc3ccccc32)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VYNACOHBPSCLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/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-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 308.24 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43181898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).