2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol

C17H27NO2 — CID 109395528

IUPAC2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
SMILESCC(C)c1cccc2c1OCCC2NC(C)C(C)CO
InChIInChI=1S/C17H27NO2/c1-11(2)14-6-5-7-15-16(8-9-20-17(14)15)18-13(4)12(3)10-19/h5-7,11-13,16,18-19H,8-10H2,1-4H3
InChIKeyCJQXJUKMRMLNKS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.24
Rot. Bonds5

About 2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol

2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol (PubChem CID 109395528) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
PubChem CID109395528
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
SMILESCC(C)c1cccc2c1OCCC2NC(C)C(C)CO
InChIInChI=1S/C17H27NO2/c1-11(2)14-6-5-7-15-16(8-9-20-17(14)15)18-13(4)12(3)10-19/h5-7,11-13,16,18-19H,8-10H2,1-4H3
InChIKeyCJQXJUKMRMLNKS-UHFFFAOYSA-N
XLogP3.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol?
The IUPAC name of 2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol (CID 109395528) is 2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol is CC(C)c1cccc2c1OCCC2NC(C)C(C)CO.
What is the InChIKey of 2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol?
The InChIKey is CJQXJUKMRMLNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11(2)14-6-5-7-15-16(8-9-20-17(14)15)18-13(4)12(3)10-19/h5-7,11-13,16,18-19H,8-10H2,1-4H3.
What are the key properties of 2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol?
2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol is sourced from PubChem (CID 109395528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).