3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol

C12H17NO2 — CID 85239018

IUPAC3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol
SMILESCC(C)NC1COc2cccc(O)c2C1
InChIInChI=1S/C12H17NO2/c1-8(2)13-9-6-10-11(14)4-3-5-12(10)15-7-9/h3-5,8-9,13-14H,6-7H2,1-2H3
InChIKeyYYNLDLJUDWMFMC-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.69
Rot. Bonds2

About 3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol

3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol (PubChem CID 85239018) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol
PubChem CID85239018
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol
SMILESCC(C)NC1COc2cccc(O)c2C1
InChIInChI=1S/C12H17NO2/c1-8(2)13-9-6-10-11(14)4-3-5-12(10)15-7-9/h3-5,8-9,13-14H,6-7H2,1-2H3
InChIKeyYYNLDLJUDWMFMC-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol
CID 105477797
3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol
CID 70404616
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
(3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 22875033
N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 57001121
6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 12878351
N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide
CID 76585450
(3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine
CID 130607809
5-methyl-3,4-dihydro-2H-chromen-3-ol
CID 89155402
2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 117200227
[3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol
CID 19028167

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of 3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol (CID 85239018) is 3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for 3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for 3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol is CC(C)NC1COc2cccc(O)c2C1.
What is the InChIKey of 3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is YYNLDLJUDWMFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)13-9-6-10-11(14)4-3-5-12(10)15-7-9/h3-5,8-9,13-14H,6-7H2,1-2H3.
What are the key properties of 3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol?
3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol has a molecular weight of 207.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 85239018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).