(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

C14H14BrNOS — CID 105187279

IUPAC(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1csc(Br)c1)c1cccc2c1OCCC2
InChIInChI=1S/C14H14BrNOS/c15-12-7-10(8-18-12)13(16)11-5-1-3-9-4-2-6-17-14(9)11/h1,3,5,7-8,13H,2,4,6,16H2
InChIKeyAWZRDGYJLDJZBR-UHFFFAOYSA-N
MW324.24 g/mol
LogP3.88
Rot. Bonds2

About (5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (PubChem CID 105187279) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
PubChem CID105187279
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1csc(Br)c1)c1cccc2c1OCCC2
InChIInChI=1S/C14H14BrNOS/c15-12-7-10(8-18-12)13(16)11-5-1-3-9-4-2-6-17-14(9)11/h1,3,5,7-8,13H,2,4,6,16H2
InChIKeyAWZRDGYJLDJZBR-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
(4-bromo-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049185
[(5-bromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105341897
N-[(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 105187326
3,4-dihydro-2H-chromen-8-yl(pyridin-3-yl)methanamine
CID 114744886
3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
CID 114744832
(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049286
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107969236
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107995512
3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine
CID 114745898
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The IUPAC name of (5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (CID 105187279) is (5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The canonical SMILES for (5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is NC(c1csc(Br)c1)c1cccc2c1OCCC2.
What is the InChIKey of (5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The InChIKey is AWZRDGYJLDJZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c15-12-7-10(8-18-12)13(16)11-5-1-3-9-4-2-6-17-14(9)11/h1,3,5,7-8,13H,2,4,6,16H2.
What are the key properties of (5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine has a molecular weight of 324.24 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is sourced from PubChem (CID 105187279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).