N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine

C16H19NOS — CID 114744967

IUPACN-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1)c1cccc2c1OCCC2
InChIInChI=1S/C16H19NOS/c1-2-17-15(13-8-10-19-11-13)14-7-3-5-12-6-4-9-18-16(12)14/h3,5,7-8,10-11,15,17H,2,4,6,9H2,1H3
InChIKeyZRJSYANXTZQEJZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.77
Rot. Bonds4

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

N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine (PubChem CID 114744967) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
PubChem CID114744967
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1)c1cccc2c1OCCC2
InChIInChI=1S/C16H19NOS/c1-2-17-15(13-8-10-19-11-13)14-7-3-5-12-6-4-9-18-16(12)14/h3,5,7-8,10-11,15,17H,2,4,6,9H2,1H3
InChIKeyZRJSYANXTZQEJZ-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923918
N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine
CID 114744929
N-[(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114744924
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105187245
N-[3,4-dihydro-2H-chromen-8-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114745509
N-[3,4-dihydro-2H-chromen-8-yl(furan-2-yl)methyl]ethanamine
CID 114745255
N-[3,4-dihydro-2H-chromen-8-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 114745552
N-[(5-bromothiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114745403
N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948
N-[(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 105187326
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
N-[(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 105049023

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine (CID 114744967) is N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine is CCNC(c1ccsc1)c1cccc2c1OCCC2.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine?
The InChIKey is ZRJSYANXTZQEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-2-17-15(13-8-10-19-11-13)14-7-3-5-12-6-4-9-18-16(12)14/h3,5,7-8,10-11,15,17H,2,4,6,9H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 114744967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).