6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine

C12H16BrNO — CID 43512617

IUPAC6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C12H16BrNO/c1-2-6-14-11-5-7-15-12-4-3-9(13)8-10(11)12/h3-4,8,11,14H,2,5-7H2,1H3
InChIKeyBIGCOKVEKNFICU-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.27
Rot. Bonds3

About 6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43512617) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43512617
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C12H16BrNO/c1-2-6-14-11-5-7-15-12-4-3-9(13)8-10(11)12/h3-4,8,11,14H,2,5-7H2,1H3
InChIKeyBIGCOKVEKNFICU-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787725
6-bromo-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-chromen-4-amine
CID 115890026
6-bromo-N-(2-methylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 54932496
6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 63450747
1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol
CID 115719269
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 54935296
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844836
6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine
CID 43755416
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
2-[[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 103904595
N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
CID 43757033
6-bromo-N-(3-pyrazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115708570

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 43512617) is 6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CCOc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BIGCOKVEKNFICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-2-6-14-11-5-7-15-12-4-3-9(13)8-10(11)12/h3-4,8,11,14H,2,5-7H2,1H3.
What are the key properties of 6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 270.17 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43512617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).