[4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine

C15H16BrNOS — CID 65409422

IUPAC[4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine
SMILESNCC1(Cc2sccc2Br)CCOc2ccccc21
InChIInChI=1S/C15H16BrNOS/c16-12-5-8-19-14(12)9-15(10-17)6-7-18-13-4-2-1-3-11(13)15/h1-5,8H,6-7,9-10,17H2
InChIKeyPMEDUIUAWXYQDN-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.73
Rot. Bonds3

About [4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine

[4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine (PubChem CID 65409422) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is [4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine
PubChem CID65409422
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name[4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine
SMILESNCC1(Cc2sccc2Br)CCOc2ccccc21
InChIInChI=1S/C15H16BrNOS/c16-12-5-8-19-14(12)9-15(10-17)6-7-18-13-4-2-1-3-11(13)15/h1-5,8H,6-7,9-10,17H2
InChIKeyPMEDUIUAWXYQDN-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The IUPAC name of [4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine (CID 65409422) is [4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine.
What is the SMILES notation for [4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The canonical SMILES for [4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine is NCC1(Cc2sccc2Br)CCOc2ccccc21.
What is the InChIKey of [4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The InChIKey is PMEDUIUAWXYQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c16-12-5-8-19-14(12)9-15(10-17)6-7-18-13-4-2-1-3-11(13)15/h1-5,8H,6-7,9-10,17H2.
What are the key properties of [4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
[4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine has a molecular weight of 338.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine is sourced from PubChem (CID 65409422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).