2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine

C21H27NO — CID 82462162

IUPAC2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine
SMILESCCC1(C)CC(NCc2ccc(C)cc2)c2cc(C)ccc2O1
InChIInChI=1S/C21H27NO/c1-5-21(4)13-19(18-12-16(3)8-11-20(18)23-21)22-14-17-9-6-15(2)7-10-17/h6-12,19,22H,5,13-14H2,1-4H3
InChIKeyZEKXMXHRJROCLE-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.09
Rot. Bonds4

About 2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine

2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine (PubChem CID 82462162) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine
PubChem CID82462162
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine
SMILESCCC1(C)CC(NCc2ccc(C)cc2)c2cc(C)ccc2O1
InChIInChI=1S/C21H27NO/c1-5-21(4)13-19(18-12-16(3)8-11-20(18)23-21)22-14-17-9-6-15(2)7-10-17/h6-12,19,22H,5,13-14H2,1-4H3
InChIKeyZEKXMXHRJROCLE-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine (CID 82462162) is 2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine is CCC1(C)CC(NCc2ccc(C)cc2)c2cc(C)ccc2O1.
What is the InChIKey of 2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine?
The InChIKey is ZEKXMXHRJROCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-5-21(4)13-19(18-12-16(3)8-11-20(18)23-21)22-14-17-9-6-15(2)7-10-17/h6-12,19,22H,5,13-14H2,1-4H3.
What are the key properties of 2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine?
2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine has a molecular weight of 309.45 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).