(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol

C10H13NO2 — CID 105438030

IUPAC(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
SMILESNc1ccc2c(c1)CC(CO)CO2
InChIInChI=1S/C10H13NO2/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7,12H,3,5-6,11H2
InChIKeyGHAUXRIFSQFKGL-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.81
Rot. Bonds1

About (6-amino-3,4-dihydro-2H-chromen-3-yl)methanol

(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol (PubChem CID 105438030) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (6-amino-3,4-dihydro-2H-chromen-3-yl)methanol.

Molecular Properties

Compound Name(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
PubChem CID105438030
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
SMILESNc1ccc2c(c1)CC(CO)CO2
InChIInChI=1S/C10H13NO2/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7,12H,3,5-6,11H2
InChIKeyGHAUXRIFSQFKGL-UHFFFAOYSA-N
XLogP0.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine
CID 105495103
3-methoxy-3,4-dihydro-2H-chromen-6-amine
CID 105438039
6-amino-3,4-dihydro-2H-chromene-3-carboxamide
CID 43209471
[(3S)-6-amino-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
CID 131182312
3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine
CID 105459411
[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
CID 73424795
[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine
CID 96628424
(3R)-7-amino-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 129451298
(3-amino-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazin-9-yl)methanol
CID 143961796
3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol
CID 105496645
[(3S)-7-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl]methanol
CID 59020655
3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine
CID 83853025

Frequently Asked Questions

What is the IUPAC name of (6-amino-3,4-dihydro-2H-chromen-3-yl)methanol?
The IUPAC name of (6-amino-3,4-dihydro-2H-chromen-3-yl)methanol (CID 105438030) is (6-amino-3,4-dihydro-2H-chromen-3-yl)methanol.
What is the SMILES notation for (6-amino-3,4-dihydro-2H-chromen-3-yl)methanol?
The canonical SMILES for (6-amino-3,4-dihydro-2H-chromen-3-yl)methanol is Nc1ccc2c(c1)CC(CO)CO2.
What is the InChIKey of (6-amino-3,4-dihydro-2H-chromen-3-yl)methanol?
The InChIKey is GHAUXRIFSQFKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7,12H,3,5-6,11H2.
What are the key properties of (6-amino-3,4-dihydro-2H-chromen-3-yl)methanol?
(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol has a molecular weight of 179.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3,4-dihydro-2H-chromen-3-yl)methanol is sourced from PubChem (CID 105438030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).