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

C14H13BrClNS — CID 65024641

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
SMILESClC1Cc2ccccc2C1NCc1ccc(Br)s1
InChIInChI=1S/C14H13BrClNS/c15-13-6-5-10(18-13)8-17-14-11-4-2-1-3-9(11)7-12(14)16/h1-6,12,14,17H,7-8H2
InChIKeyJQXCAQCGDRMPEB-UHFFFAOYSA-N
MW342.69 g/mol
LogP4.51
Rot. Bonds3

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

N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine (PubChem CID 65024641) has the molecular formula C14H13BrClNS and a molecular weight of 342.69 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
PubChem CID65024641
Molecular FormulaC14H13BrClNS
Molecular Weight342.69 g/mol
Exact Mass340.96
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
SMILESClC1Cc2ccccc2C1NCc1ccc(Br)s1
InChIInChI=1S/C14H13BrClNS/c15-13-6-5-10(18-13)8-17-14-11-4-2-1-3-9(11)7-12(14)16/h1-6,12,14,17H,7-8H2
InChIKeyJQXCAQCGDRMPEB-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.69
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181898
N-[(5-bromothiophen-2-yl)methyl]-4-chlorooxolan-3-amine
CID 131165706
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
CID 65024859
N-[(5-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)cyclobutan-1-amine
CID 63452021
2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 65024916
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 112651365
2-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
CID 115518416
2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 65024858
N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 54895688
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
1-[(5-bromothiophen-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 54900064

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine (CID 65024641) is N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine is ClC1Cc2ccccc2C1NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JQXCAQCGDRMPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNS/c15-13-6-5-10(18-13)8-17-14-11-4-2-1-3-9(11)7-12(14)16/h1-6,12,14,17H,7-8H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 342.69 g/mol, XLogP of 4.51, 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-chloro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 65024641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).