(4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine

C14H14BrNOS — CID 79601515

IUPAC(4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
SMILESNC(c1cscc1Br)C1COc2ccccc2C1
InChIInChI=1S/C14H14BrNOS/c15-12-8-18-7-11(12)14(16)10-5-9-3-1-2-4-13(9)17-6-10/h1-4,7-8,10,14H,5-6,16H2
InChIKeyNVGBBMCNANOAKO-UHFFFAOYSA-N
MW324.24 g/mol
LogP3.76
Rot. Bonds2

About (4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine

(4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine (PubChem CID 79601515) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
PubChem CID79601515
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name(4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
SMILESNC(c1cscc1Br)C1COc2ccccc2C1
InChIInChI=1S/C14H14BrNOS/c15-12-8-18-7-11(12)14(16)10-5-9-3-1-2-4-13(9)17-6-10/h1-4,7-8,10,14H,5-6,16H2
InChIKeyNVGBBMCNANOAKO-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
The IUPAC name of (4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine (CID 79601515) is (4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine.
What is the SMILES notation for (4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
The canonical SMILES for (4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine is NC(c1cscc1Br)C1COc2ccccc2C1.
What is the InChIKey of (4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
The InChIKey is NVGBBMCNANOAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c15-12-8-18-7-11(12)14(16)10-5-9-3-1-2-4-13(9)17-6-10/h1-4,7-8,10,14H,5-6,16H2.
What are the key properties of (4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
(4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine has a molecular weight of 324.24 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine is sourced from PubChem (CID 79601515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).