N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine

C17H21NOS — CID 61026721

IUPACN-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCCO2)c1ccc(C)s1
InChIInChI=1S/C17H21NOS/c1-3-18-17(16-9-6-12(2)20-16)14-7-8-15-13(11-14)5-4-10-19-15/h6-9,11,17-18H,3-5,10H2,1-2H3
InChIKeyYRUQBUHNCYJLMP-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.08
Rot. Bonds4

About N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine

N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 61026721) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID61026721
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCCO2)c1ccc(C)s1
InChIInChI=1S/C17H21NOS/c1-3-18-17(16-9-6-12(2)20-16)14-7-8-15-13(11-14)5-4-10-19-15/h6-9,11,17-18H,3-5,10H2,1-2H3
InChIKeyYRUQBUHNCYJLMP-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydro-2H-chromen-6-yl-(4-iodophenyl)methyl]ethanamine
CID 61027766
N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine
CID 61026469
N-[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 79981650
N-[(3-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methyl]ethanamine
CID 80643911
1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 54908971
N-[(5-methylthiophen-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 43494255
N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488394
6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43490884
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
N-[2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489820
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
CID 61026967
N-[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63209957

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine (CID 61026721) is N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)CCCO2)c1ccc(C)s1.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is YRUQBUHNCYJLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-18-17(16-9-6-12(2)20-16)14-7-8-15-13(11-14)5-4-10-19-15/h6-9,11,17-18H,3-5,10H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 4.08, 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-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 61026721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).