2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol

C15H23NO2 — CID 115137444

IUPAC2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H23NO2/c1-11(2)14(10-17)16(3)13-6-7-15-12(9-13)5-4-8-18-15/h6-7,9,11,14,17H,4-5,8,10H2,1-3H3
InChIKeyMICJVHMTJUOELI-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.46
Rot. Bonds4

About 2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol

2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol (PubChem CID 115137444) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol
PubChem CID115137444
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H23NO2/c1-11(2)14(10-17)16(3)13-6-7-15-12(9-13)5-4-8-18-15/h6-7,9,11,14,17H,4-5,8,10H2,1-3H3
InChIKeyMICJVHMTJUOELI-UHFFFAOYSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide
CID 115153584
4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide
CID 115155987
2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol
CID 115251865
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-2-oxoacetic acid
CID 115141251
4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol
CID 117039127
3-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]propane-1,2-diol
CID 115122056
N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide
CID 82496343
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178677
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide
CID 115154596
N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine
CID 115212433

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol (CID 115137444) is 2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol is CC(C)C(CO)N(C)c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol?
The InChIKey is MICJVHMTJUOELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)14(10-17)16(3)13-6-7-15-12(9-13)5-4-8-18-15/h6-7,9,11,14,17H,4-5,8,10H2,1-3H3.
What are the key properties of 2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol?
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 115137444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).