1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride

C11H13Cl2NO — CID 115616011

IUPAC1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1=Cc2cc(Cl)ccc2OC1.Cl
InChIInChI=1S/C11H12ClNO.ClH/c1-13-6-8-4-9-5-10(12)2-3-11(9)14-7-8;/h2-5,13H,6-7H2,1H3;1H
InChIKeyPYYXBUDGCGPXML-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.76
Rot. Bonds2

About 1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride

1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride (PubChem CID 115616011) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride
PubChem CID115616011
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1=Cc2cc(Cl)ccc2OC1.Cl
InChIInChI=1S/C11H12ClNO.ClH/c1-13-6-8-4-9-5-10(12)2-3-11(9)14-7-8;/h2-5,13H,6-7H2,1H3;1H
InChIKeyPYYXBUDGCGPXML-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride (CID 115616011) is 1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride is CNCC1=Cc2cc(Cl)ccc2OC1.Cl.
What is the InChIKey of 1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is PYYXBUDGCGPXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO.ClH/c1-13-6-8-4-9-5-10(12)2-3-11(9)14-7-8;/h2-5,13H,6-7H2,1H3;1H.
What are the key properties of 1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride?
1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 246.14 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 115616011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).