2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol

C10H13NO2 — CID 22645938

IUPAC2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESNCC1CC(O)c2ccccc2O1
InChIInChI=1S/C10H13NO2/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-4,7,9,12H,5-6,11H2
InChIKeyXVWSBJKJUXDTFK-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.83
Rot. Bonds1

About 2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol

2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 22645938) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID22645938
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESNCC1CC(O)c2ccccc2O1
InChIInChI=1S/C10H13NO2/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-4,7,9,12H,5-6,11H2
InChIKeyXVWSBJKJUXDTFK-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950006
(4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949968
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 130124286
(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 134948340
(4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949803
(4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949776
(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950152
2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714846
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
(3R,5R)-3-amino-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446112
(4R)-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950234

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol (CID 22645938) is 2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol is NCC1CC(O)c2ccccc2O1.
What is the InChIKey of 2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is XVWSBJKJUXDTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-4,7,9,12H,5-6,11H2.
What are the key properties of 2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol?
2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 179.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 22645938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).