[3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine

C16H25NO — CID 82934859

IUPAC[3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine
SMILESCCC(CC)CC1(CN)COc2ccccc2C1
InChIInChI=1S/C16H25NO/c1-3-13(4-2)9-16(11-17)10-14-7-5-6-8-15(14)18-12-16/h5-8,13H,3-4,9-12,17H2,1-2H3
InChIKeySUPZWHHDSYZNIA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.39
Rot. Bonds5

About [3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine

[3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine (PubChem CID 82934859) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine
PubChem CID82934859
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine
SMILESCCC(CC)CC1(CN)COc2ccccc2C1
InChIInChI=1S/C16H25NO/c1-3-13(4-2)9-16(11-17)10-14-7-5-6-8-15(14)18-12-16/h5-8,13H,3-4,9-12,17H2,1-2H3
InChIKeySUPZWHHDSYZNIA-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine?
The IUPAC name of [3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine (CID 82934859) is [3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine.
What is the SMILES notation for [3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine?
The canonical SMILES for [3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine is CCC(CC)CC1(CN)COc2ccccc2C1.
What is the InChIKey of [3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine?
The InChIKey is SUPZWHHDSYZNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13(4-2)9-16(11-17)10-14-7-5-6-8-15(14)18-12-16/h5-8,13H,3-4,9-12,17H2,1-2H3.
What are the key properties of [3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine?
[3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine is sourced from PubChem (CID 82934859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).