6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine

C16H24ClNO — CID 82462545

IUPAC6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(NC)c2c(cc(C)c(Cl)c2C)O1
InChIInChI=1S/C16H24ClNO/c1-6-16(7-2)9-12(18-5)14-11(4)15(17)10(3)8-13(14)19-16/h8,12,18H,6-7,9H2,1-5H3
InChIKeyUAMMEFLERWRCRV-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.56
Rot. Bonds3

About 6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine

6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine (PubChem CID 82462545) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine
PubChem CID82462545
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(NC)c2c(cc(C)c(Cl)c2C)O1
InChIInChI=1S/C16H24ClNO/c1-6-16(7-2)9-12(18-5)14-11(4)15(17)10(3)8-13(14)19-16/h8,12,18H,6-7,9H2,1-5H3
InChIKeyUAMMEFLERWRCRV-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462914
6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82461928
2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
CID 82462579
2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462522
6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43512713
2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462475
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100501762
6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 114713216
1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide
CID 100511167
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 133189812
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 133189767
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 100770415

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine (CID 82462545) is 6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine is CCC1(CC)CC(NC)c2c(cc(C)c(Cl)c2C)O1.
What is the InChIKey of 6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is UAMMEFLERWRCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-6-16(7-2)9-12(18-5)14-11(4)15(17)10(3)8-13(14)19-16/h8,12,18H,6-7,9H2,1-5H3.
What are the key properties of 6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine?
6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 281.83 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).