8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine

C10H12ClNO — CID 43173859

IUPAC8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(Cl)c2c1C(N)CCO2
InChIInChI=1S/C10H12ClNO/c1-6-2-3-7(11)10-9(6)8(12)4-5-13-10/h2-3,8H,4-5,12H2,1H3
InChIKeyVZKPVKMUMYOISJ-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.43
Rot. Bonds

About 8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine

8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43173859) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43173859
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(Cl)c2c1C(N)CCO2
InChIInChI=1S/C10H12ClNO/c1-6-2-3-7(11)10-9(6)8(12)4-5-13-10/h2-3,8H,4-5,12H2,1H3
InChIKeyVZKPVKMUMYOISJ-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine (CID 43173859) is 8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(Cl)c2c1C(N)CCO2.
What is the InChIKey of 8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VZKPVKMUMYOISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-6-2-3-7(11)10-9(6)8(12)4-5-13-10/h2-3,8H,4-5,12H2,1H3.
What are the key properties of 8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine?
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 197.66 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43173859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).