2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine

C14H16BrN3O — CID 116835081

IUPAC2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine
SMILESNCC(c1ccc2c(c1)CCCO2)c1ncc(Br)[nH]1
InChIInChI=1S/C14H16BrN3O/c15-13-8-17-14(18-13)11(7-16)9-3-4-12-10(6-9)2-1-5-19-12/h3-4,6,8,11H,1-2,5,7,16H2,(H,17,18)
InChIKeyKVQYXOXPTDZTKA-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.59
Rot. Bonds3

About 2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine

2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine (PubChem CID 116835081) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine
PubChem CID116835081
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine
SMILESNCC(c1ccc2c(c1)CCCO2)c1ncc(Br)[nH]1
InChIInChI=1S/C14H16BrN3O/c15-13-8-17-14(18-13)11(7-16)9-3-4-12-10(6-9)2-1-5-19-12/h3-4,6,8,11H,1-2,5,7,16H2,(H,17,18)
InChIKeyKVQYXOXPTDZTKA-UHFFFAOYSA-N
XLogP2.59
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 116834977
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
(5-bromo-1H-imidazol-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 116835256
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
CID 116942558
2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine
CID 116835110
[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
CID 82649644
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
3,4-diamino-4-(3,4-dihydro-2H-chromen-6-yl)butanoic acid
CID 116942828
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876928
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 116936978

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine?
The IUPAC name of 2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine (CID 116835081) is 2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine is NCC(c1ccc2c(c1)CCCO2)c1ncc(Br)[nH]1.
What is the InChIKey of 2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine?
The InChIKey is KVQYXOXPTDZTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-13-8-17-14(18-13)11(7-16)9-3-4-12-10(6-9)2-1-5-19-12/h3-4,6,8,11H,1-2,5,7,16H2,(H,17,18).
What are the key properties of 2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine?
2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine has a molecular weight of 322.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine is sourced from PubChem (CID 116835081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).