3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol

C16H24ClNO2 — CID 82187010

IUPAC3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCCCCN(CC)C1COc2c(C)cc(Cl)cc2C1O
InChIInChI=1S/C16H24ClNO2/c1-4-6-7-18(5-2)14-10-20-16-11(3)8-12(17)9-13(16)15(14)19/h8-9,14-15,19H,4-7,10H2,1-3H3
InChIKeyKQUAWJATJMLJRX-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.56
Rot. Bonds5

About 3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol

3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82187010) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID82187010
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCCCCN(CC)C1COc2c(C)cc(Cl)cc2C1O
InChIInChI=1S/C16H24ClNO2/c1-4-6-7-18(5-2)14-10-20-16-11(3)8-12(17)9-13(16)15(14)19/h8-9,14-15,19H,4-7,10H2,1-3H3
InChIKeyKQUAWJATJMLJRX-UHFFFAOYSA-N
XLogP3.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol (CID 82187010) is 3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol is CCCCN(CC)C1COc2c(C)cc(Cl)cc2C1O.
What is the InChIKey of 3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is KQUAWJATJMLJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-4-6-7-18(5-2)14-10-20-16-11(3)8-12(17)9-13(16)15(14)19/h8-9,14-15,19H,4-7,10H2,1-3H3.
What are the key properties of 3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol?
3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 297.83 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]-6-chloro-8-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82187010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).