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

C11H14ClNO — CID 82461683

IUPAC6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(C)c(Cl)cc21
InChIInChI=1S/C11H14ClNO/c1-7-5-11-8(6-9(7)12)10(13-2)3-4-14-11/h5-6,10,13H,3-4H2,1-2H3
InChIKeyLPBADMMSROELIT-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.69
Rot. Bonds1

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

6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461683) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461683
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(C)c(Cl)cc21
InChIInChI=1S/C11H14ClNO/c1-7-5-11-8(6-9(7)12)10(13-2)3-4-14-11/h5-6,10,13H,3-4H2,1-2H3
InChIKeyLPBADMMSROELIT-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 82461683) is 6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine is CNC1CCOc2cc(C)c(Cl)cc21.
What is the InChIKey of 6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LPBADMMSROELIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-5-11-8(6-9(7)12)10(13-2)3-4-14-11/h5-6,10,13H,3-4H2,1-2H3.
What are the key properties of 6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 211.69 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).