2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine

C16H19NOS — CID 105034323

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(N)CC1CCOc2ccccc21
InChIInChI=1S/C16H19NOS/c1-11-7-9-19-16(11)14(17)10-12-6-8-18-15-5-3-2-4-13(12)15/h2-5,7,9,12,14H,6,8,10,17H2,1H3
InChIKeyMVMUJPHEBWWALQ-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.01
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine

2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 105034323) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID105034323
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(N)CC1CCOc2ccccc21
InChIInChI=1S/C16H19NOS/c1-11-7-9-19-16(11)14(17)10-12-6-8-18-15-5-3-2-4-13(12)15/h2-5,7,9,12,14H,6,8,10,17H2,1H3
InChIKeyMVMUJPHEBWWALQ-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 105034258
1-(2-chloro-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034300
1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034368
1-(3-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831946
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine
CID 104770116
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105179822
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107004950
[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 103408767
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(2,5-dibromothiophen-3-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 107969001
1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 114886029

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine (CID 105034323) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1C(N)CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is MVMUJPHEBWWALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11-7-9-19-16(11)14(17)10-12-6-8-18-15-5-3-2-4-13(12)15/h2-5,7,9,12,14H,6,8,10,17H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 273.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 105034323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).