N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine

C18H29NO2 — CID 82462320

IUPACN,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(CC)Oc2cc(OCC(C)C)ccc21
InChIInChI=1S/C18H29NO2/c1-6-18(5)11-16(19-7-2)15-9-8-14(10-17(15)21-18)20-12-13(3)4/h8-10,13,16,19H,6-7,11-12H2,1-5H3
InChIKeyLKIAMPREONCHNQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.32
Rot. Bonds6

About N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine

N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine (PubChem CID 82462320) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine
PubChem CID82462320
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(CC)Oc2cc(OCC(C)C)ccc21
InChIInChI=1S/C18H29NO2/c1-6-18(5)11-16(19-7-2)15-9-8-14(10-17(15)21-18)20-12-13(3)4/h8-10,13,16,19H,6-7,11-12H2,1-5H3
InChIKeyLKIAMPREONCHNQ-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine?
The IUPAC name of N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine (CID 82462320) is N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine?
The canonical SMILES for N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine is CCNC1CC(C)(CC)Oc2cc(OCC(C)C)ccc21.
What is the InChIKey of N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine?
The InChIKey is LKIAMPREONCHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-18(5)11-16(19-7-2)15-9-8-14(10-17(15)21-18)20-12-13(3)4/h8-10,13,16,19H,6-7,11-12H2,1-5H3.
What are the key properties of N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine?
N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).