[3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine

C14H15NOS — CID 114746455

IUPAC[3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine
SMILESNCc1sccc1-c1cccc2c1OCCC2
InChIInChI=1S/C14H15NOS/c15-9-13-11(6-8-17-13)12-5-1-3-10-4-2-7-16-14(10)12/h1,3,5-6,8H,2,4,7,9,15H2
InChIKeyHDUFYOGTOCHJAU-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.20
Rot. Bonds2

About [3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine

[3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine (PubChem CID 114746455) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is [3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine
PubChem CID114746455
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name[3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine
SMILESNCc1sccc1-c1cccc2c1OCCC2
InChIInChI=1S/C14H15NOS/c15-9-13-11(6-8-17-13)12-5-1-3-10-4-2-7-16-14(10)12/h1,3,5-6,8H,2,4,7,9,15H2
InChIKeyHDUFYOGTOCHJAU-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-fluorophenyl)-3,4-dihydro-2H-chromene;methanamine
CID 143567573
1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine
CID 114746628
5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine
CID 117308014
3-(3,4-dihydro-2H-chromen-8-yl)-2-methylpyridine;methanamine
CID 165409090
3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline
CID 114746463
4-(3,4-dihydro-2H-chromen-8-yl)pyridine
CID 165409197
4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine
CID 117330819
8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene
CID 70322575
3-(3,4-dihydro-2H-chromen-8-yl)-4-methylpyridine
CID 165409098
3,4-dihydro-2H-chromene-8-thiol
CID 123990330
4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline
CID 114746433
2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114747718

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine?
The IUPAC name of [3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine (CID 114746455) is [3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine.
What is the SMILES notation for [3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine?
The canonical SMILES for [3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine is NCc1sccc1-c1cccc2c1OCCC2.
What is the InChIKey of [3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine?
The InChIKey is HDUFYOGTOCHJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c15-9-13-11(6-8-17-13)12-5-1-3-10-4-2-7-16-14(10)12/h1,3,5-6,8H,2,4,7,9,15H2.
What are the key properties of [3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine?
[3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine has a molecular weight of 245.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dihydro-2H-chromen-8-yl)thiophen-2-yl]methanamine is sourced from PubChem (CID 114746455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).