6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine

C14H20BrNO2 — CID 64602781

IUPAC6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCC(C)NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C14H20BrNO2/c1-10(5-7-17-2)16-13-6-8-18-14-4-3-11(15)9-12(13)14/h3-4,9-10,13,16H,5-8H2,1-2H3
InChIKeyOULBOJYLXDMFPT-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.29
Rot. Bonds5

About 6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 64602781) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID64602781
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCC(C)NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C14H20BrNO2/c1-10(5-7-17-2)16-13-6-8-18-14-4-3-11(15)9-12(13)14/h3-4,9-10,13,16H,5-8H2,1-2H3
InChIKeyOULBOJYLXDMFPT-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43758418
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 81338825
6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104827910
6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine
CID 82709942
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844836
6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 103779343
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide
CID 86872157
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
2-[[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 103904595
1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol
CID 115719269
6-bromo-N-[(1R)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81407322

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 64602781) is 6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine is COCCC(C)NC1CCOc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OULBOJYLXDMFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(5-7-17-2)16-13-6-8-18-14-4-3-11(15)9-12(13)14/h3-4,9-10,13,16H,5-8H2,1-2H3.
What are the key properties of 6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 314.22 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 64602781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).