6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine

C15H21Cl2NO — CID 63456363

IUPAC6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCC(NC1CCOc2c(Cl)cc(Cl)cc21)C(C)C
InChIInChI=1S/C15H21Cl2NO/c1-4-13(9(2)3)18-14-5-6-19-15-11(14)7-10(16)8-12(15)17/h7-9,13-14,18H,4-6H2,1-3H3
InChIKeyBSBCEDGJNPTTOR-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.84
Rot. Bonds4

About 6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine

6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 63456363) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID63456363
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCC(NC1CCOc2c(Cl)cc(Cl)cc21)C(C)C
InChIInChI=1S/C15H21Cl2NO/c1-4-13(9(2)3)18-14-5-6-19-15-11(14)7-10(16)8-12(15)17/h7-9,13-14,18H,4-6H2,1-3H3
InChIKeyBSBCEDGJNPTTOR-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine (CID 63456363) is 6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine is CCC(NC1CCOc2c(Cl)cc(Cl)cc21)C(C)C.
What is the InChIKey of 6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BSBCEDGJNPTTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-4-13(9(2)3)18-14-5-6-19-15-11(14)7-10(16)8-12(15)17/h7-9,13-14,18H,4-6H2,1-3H3.
What are the key properties of 6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 302.25 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 63456363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).