8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine

C11H13BrClNO — CID 43537253

IUPAC8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C)Oc2c(Br)cc(Cl)cc21
InChIInChI=1S/C11H13BrClNO/c1-6-3-10(14-2)8-4-7(13)5-9(12)11(8)15-6/h4-6,10,14H,3H2,1-2H3
InChIKeyAOHIQTQKSXFGRH-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.53
Rot. Bonds1

About 8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine

8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43537253) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43537253
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C)Oc2c(Br)cc(Cl)cc21
InChIInChI=1S/C11H13BrClNO/c1-6-3-10(14-2)8-4-7(13)5-9(12)11(8)15-6/h4-6,10,14H,3H2,1-2H3
InChIKeyAOHIQTQKSXFGRH-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43512571
5,6,8-trichloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537014
N,2,8-trimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43536914
9-bromo-7-chloro-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512564
7-bromo-2-(2-bromo-4-chlorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711700
2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712476
8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine
CID 53249807
2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711217
5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417669
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144
6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711117
6,8-dibromo-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64719069

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 43537253) is 8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(C)Oc2c(Br)cc(Cl)cc21.
What is the InChIKey of 8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AOHIQTQKSXFGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-6-3-10(14-2)8-4-7(13)5-9(12)11(8)15-6/h4-6,10,14H,3H2,1-2H3.
What are the key properties of 8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine?
8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 290.59 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43537253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).