3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol

C13H19NO2 — CID 105477797

IUPAC3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol
SMILESCC(C)(C)NC1COc2cccc(O)c2C1
InChIInChI=1S/C13H19NO2/c1-13(2,3)14-9-7-10-11(15)5-4-6-12(10)16-8-9/h4-6,9,14-15H,7-8H2,1-3H3
InChIKeyJADKGLZHWNHKMD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.08
Rot. Bonds1

About 3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol

3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol (PubChem CID 105477797) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol
PubChem CID105477797
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol
SMILESCC(C)(C)NC1COc2cccc(O)c2C1
InChIInChI=1S/C13H19NO2/c1-13(2,3)14-9-7-10-11(15)5-4-6-12(10)16-8-9/h4-6,9,14-15H,7-8H2,1-3H3
InChIKeyJADKGLZHWNHKMD-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol
CID 85239018
2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 10682811
3-amino-3,4-dihydro-2H-chromen-5-ol
CID 22366572
3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol
CID 70404616
N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide
CID 76585450
N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 57001121
5-methyl-3,4-dihydro-2H-chromen-3-ol
CID 89155402
N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45221354
2-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol
CID 117198906
(3R)-N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 25308320
3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446113
4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 22896535

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of 3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol (CID 105477797) is 3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for 3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for 3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol is CC(C)(C)NC1COc2cccc(O)c2C1.
What is the InChIKey of 3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is JADKGLZHWNHKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)14-9-7-10-11(15)5-4-6-12(10)16-8-9/h4-6,9,14-15H,7-8H2,1-3H3.
What are the key properties of 3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol?
3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol has a molecular weight of 221.30 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 105477797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).