2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine

C15H19N3O — CID 116834977

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1C(CN)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H19N3O/c1-18-7-6-17-15(18)13(10-16)11-4-5-14-12(9-11)3-2-8-19-14/h4-7,9,13H,2-3,8,10,16H2,1H3
InChIKeyLYSJTROVQBDCDT-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.84
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine

2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 116834977) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID116834977
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1C(CN)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H19N3O/c1-18-7-6-17-15(18)13(10-16)11-4-5-14-12(9-11)3-2-8-19-14/h4-7,9,13H,2-3,8,10,16H2,1H3
InChIKeyLYSJTROVQBDCDT-UHFFFAOYSA-N
XLogP1.84
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 116835081
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
CID 116942558
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61212599
2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid
CID 82485168
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308266
2-(1-methylimidazol-2-yl)-2-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 116834976
2-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-ylethanamine
CID 43804461
3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol
CID 106828329
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine (CID 116834977) is 2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1C(CN)c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is LYSJTROVQBDCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-7-6-17-15(18)13(10-16)11-4-5-14-12(9-11)3-2-8-19-14/h4-7,9,13H,2-3,8,10,16H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine?
2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 257.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 116834977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).