4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol

C16H25NO2 — CID 109395509

IUPAC4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol
SMILESCC(O)CCNC1CCOc2c(C(C)C)cccc21
InChIInChI=1S/C16H25NO2/c1-11(2)13-5-4-6-14-15(8-10-19-16(13)14)17-9-7-12(3)18/h4-6,11-12,15,17-18H,7-10H2,1-3H3
InChIKeyFBQDKRGRCGGVAW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds5

About 4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol

4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol (PubChem CID 109395509) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol
PubChem CID109395509
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol
SMILESCC(O)CCNC1CCOc2c(C(C)C)cccc21
InChIInChI=1S/C16H25NO2/c1-11(2)13-5-4-6-14-15(8-10-19-16(13)14)17-9-7-12(3)18/h4-6,11-12,15,17-18H,7-10H2,1-3H3
InChIKeyFBQDKRGRCGGVAW-UHFFFAOYSA-N
XLogP2.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol (CID 109395509) is 4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol is CC(O)CCNC1CCOc2c(C(C)C)cccc21.
What is the InChIKey of 4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol?
The InChIKey is FBQDKRGRCGGVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)13-5-4-6-14-15(8-10-19-16(13)14)17-9-7-12(3)18/h4-6,11-12,15,17-18H,7-10H2,1-3H3.
What are the key properties of 4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol?
4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol is sourced from PubChem (CID 109395509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).