2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine

C19H31NO — CID 82462522

IUPAC2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(NCC(C)C)c2c(C)cc(C)cc2O1
InChIInChI=1S/C19H31NO/c1-7-19(8-2)11-16(20-12-13(3)4)18-15(6)9-14(5)10-17(18)21-19/h9-10,13,16,20H,7-8,11-12H2,1-6H3
InChIKeyARULWXLLBDIUIV-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.93
Rot. Bonds5

About 2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine

2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine (PubChem CID 82462522) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
PubChem CID82462522
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(NCC(C)C)c2c(C)cc(C)cc2O1
InChIInChI=1S/C19H31NO/c1-7-19(8-2)11-16(20-12-13(3)4)18-15(6)9-14(5)10-17(18)21-19/h9-10,13,16,20H,7-8,11-12H2,1-6H3
InChIKeyARULWXLLBDIUIV-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-6,8-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462506
2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462475
6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82461928
6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82462545
N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine
CID 82462595
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide
CID 133202111
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide
CID 100694409
7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462867
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 133251758
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100501762
N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868375
7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine
CID 82462571

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine (CID 82462522) is 2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine is CCC1(CC)CC(NCC(C)C)c2c(C)cc(C)cc2O1.
What is the InChIKey of 2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The InChIKey is ARULWXLLBDIUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-7-19(8-2)11-16(20-12-13(3)4)18-15(6)9-14(5)10-17(18)21-19/h9-10,13,16,20H,7-8,11-12H2,1-6H3.
What are the key properties of 2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine has a molecular weight of 289.46 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5,7-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).