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

C15H23NO2 — CID 115251865

IUPAC2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CNc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H23NO2/c1-11(2)13(10-17)9-16-14-5-6-15-12(8-14)4-3-7-18-15/h5-6,8,11,13,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyAEAQKIMOKVAUMX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.69
Rot. Bonds5

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

2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol (PubChem CID 115251865) 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-ylamino)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol
PubChem CID115251865
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CNc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H23NO2/c1-11(2)13(10-17)9-16-14-5-6-15-12(8-14)4-3-7-18-15/h5-6,8,11,13,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyAEAQKIMOKVAUMX-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
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

N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
CID 115876909
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol
CID 115120331
4-(3,4-dihydro-2H-chromen-6-ylamino)-2-methylbutanoic acid
CID 115220543
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137444
N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
CID 115201022
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol
CID 115121170
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine
CID 115244530
2-amino-4-(3,4-dihydro-2H-chromen-6-ylamino)butanoic acid
CID 115241034
2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine
CID 115132458
3-methyl-2-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]butan-1-ol
CID 115251861

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol (CID 115251865) is 2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol is CC(C)C(CO)CNc1ccc2c(c1)CCCO2.
What is the InChIKey of 2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol?
The InChIKey is AEAQKIMOKVAUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)13(10-17)9-16-14-5-6-15-12(8-14)4-3-7-18-15/h5-6,8,11,13,16-17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol?
2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 115251865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).