7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine

C10H11BrClNO — CID 130820671

IUPAC7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(Br)c(Cl)cc21
InChIInChI=1S/C10H11BrClNO/c1-13-9-2-3-14-10-5-7(11)8(12)4-6(9)10/h4-5,9,13H,2-3H2,1H3
InChIKeyBMLVUNURJVTHTL-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.15
Rot. Bonds1

About 7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine

7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 130820671) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID130820671
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(Br)c(Cl)cc21
InChIInChI=1S/C10H11BrClNO/c1-13-9-2-3-14-10-5-7(11)8(12)4-6(9)10/h4-5,9,13H,2-3H2,1H3
InChIKeyBMLVUNURJVTHTL-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461683
6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130952274
8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43512571
7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 107170028
6,8-dibromo-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64719069
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 172780354
8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 60970601
7-bromo-8-chloro-3,4-dihydro-2H-1,5-benzodioxepine
CID 43152834
6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 83078339
7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43511971
6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 155205670

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 130820671) is 7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CCOc2cc(Br)c(Cl)cc21.
What is the InChIKey of 7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BMLVUNURJVTHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-13-9-2-3-14-10-5-7(11)8(12)4-6(9)10/h4-5,9,13H,2-3H2,1H3.
What are the key properties of 7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 276.56 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 130820671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).