N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine

C14H15BrN2S — CID 80566632

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine
SMILESBrc1csc(CNCC2CNc3ccccc32)c1
InChIInChI=1S/C14H15BrN2S/c15-11-5-12(18-9-11)8-16-6-10-7-17-14-4-2-1-3-13(10)14/h1-5,9-10,16-17H,6-8H2
InChIKeyVKBBSRPJBMKRKQ-UHFFFAOYSA-N
MW323.26 g/mol
LogP3.81
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine

N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine (PubChem CID 80566632) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine
PubChem CID80566632
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine
SMILESBrc1csc(CNCC2CNc3ccccc32)c1
InChIInChI=1S/C14H15BrN2S/c15-11-5-12(18-9-11)8-16-6-10-7-17-14-4-2-1-3-13(10)14/h1-5,9-10,16-17H,6-8H2
InChIKeyVKBBSRPJBMKRKQ-UHFFFAOYSA-N
XLogP3.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine (CID 80566632) is N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine is Brc1csc(CNCC2CNc3ccccc32)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine?
The InChIKey is VKBBSRPJBMKRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c15-11-5-12(18-9-11)8-16-6-10-7-17-14-4-2-1-3-13(10)14/h1-5,9-10,16-17H,6-8H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine has a molecular weight of 323.26 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine is sourced from PubChem (CID 80566632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).