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

C10H13NO2 — CID 64814696

IUPAC(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
SMILESNC1c2ccccc2OCC1CO
InChIInChI=1S/C10H13NO2/c11-10-7(5-12)6-13-9-4-2-1-3-8(9)10/h1-4,7,10,12H,5-6,11H2
InChIKeySHVSFODEFVZZHJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.69
Rot. Bonds1

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

(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol (PubChem CID 64814696) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4-amino-3,4-dihydro-2H-chromen-3-yl)methanol.

Molecular Properties

Compound Name(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
PubChem CID64814696
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
SMILESNC1c2ccccc2OCC1CO
InChIInChI=1S/C10H13NO2/c11-10-7(5-12)6-13-9-4-2-1-3-8(9)10/h1-4,7,10,12H,5-6,11H2
InChIKeySHVSFODEFVZZHJ-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol
CID 130937445
3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188018
(3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 150193100
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 96762744
3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43184438
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 174973153
2,3-dihydro-1-benzofuran-3-ol
CID 585896
2-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetonitrile
CID 102169763
(1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 115420649

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,4-dihydro-2H-chromen-3-yl)methanol?
The IUPAC name of (4-amino-3,4-dihydro-2H-chromen-3-yl)methanol (CID 64814696) is (4-amino-3,4-dihydro-2H-chromen-3-yl)methanol.
What is the SMILES notation for (4-amino-3,4-dihydro-2H-chromen-3-yl)methanol?
The canonical SMILES for (4-amino-3,4-dihydro-2H-chromen-3-yl)methanol is NC1c2ccccc2OCC1CO.
What is the InChIKey of (4-amino-3,4-dihydro-2H-chromen-3-yl)methanol?
The InChIKey is SHVSFODEFVZZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-10-7(5-12)6-13-9-4-2-1-3-8(9)10/h1-4,7,10,12H,5-6,11H2.
What are the key properties of (4-amino-3,4-dihydro-2H-chromen-3-yl)methanol?
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol has a molecular weight of 179.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,4-dihydro-2H-chromen-3-yl)methanol is sourced from PubChem (CID 64814696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).