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

C12H14BrNO — CID 43755416

IUPAC6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine
SMILESC=CCNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C12H14BrNO/c1-2-6-14-11-5-7-15-12-4-3-9(13)8-10(11)12/h2-4,8,11,14H,1,5-7H2
InChIKeyQHJPYYJQGCANMM-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.05
Rot. Bonds3

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

6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43755416) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43755416
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine
SMILESC=CCNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C12H14BrNO/c1-2-6-14-11-5-7-15-12-4-3-9(13)8-10(11)12/h2-4,8,11,14H,1,5-7H2
InChIKeyQHJPYYJQGCANMM-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
6-bromo-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-chromen-4-amine
CID 115890026
N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
CID 43757033
6-bromo-N-[(5-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 54900398
6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769329
6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 63450747
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787725
6-bromo-N-(2-methylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 54932496
7-methoxy-N-prop-2-enyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 119034586
6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 47624108
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103778612

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine (CID 43755416) is 6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine is C=CCNC1CCOc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QHJPYYJQGCANMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-2-6-14-11-5-7-15-12-4-3-9(13)8-10(11)12/h2-4,8,11,14H,1,5-7H2.
What are the key properties of 6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 268.15 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43755416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).