1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol

C13H19NO2 — CID 114743669

IUPAC1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol
SMILESCCC(O)(CN)c1cccc2c1OCCC2
InChIInChI=1S/C13H19NO2/c1-2-13(15,9-14)11-7-3-5-10-6-4-8-16-12(10)11/h3,5,7,15H,2,4,6,8-9,14H2,1H3
InChIKeyMFJKVGNABBJJOB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.57
Rot. Bonds3

About 1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol

1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol (PubChem CID 114743669) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol
PubChem CID114743669
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol
SMILESCCC(O)(CN)c1cccc2c1OCCC2
InChIInChI=1S/C13H19NO2/c1-2-13(15,9-14)11-7-3-5-10-6-4-8-16-12(10)11/h3,5,7,15H,2,4,6,8-9,14H2,1H3
InChIKeyMFJKVGNABBJJOB-UHFFFAOYSA-N
XLogP1.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114747537
2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114747718
1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine
CID 114743820
1-(3,4-dihydro-2H-chromen-8-yl)-1-(furan-3-yl)ethanol
CID 114743643
2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-one
CID 114747981
(2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 15605604
2-amino-2-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoropropanoic acid
CID 114746833
1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol
CID 114743230
3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-hydroxyethyl]benzonitrile
CID 114743649
1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 114743705
3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
CID 114748089
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine
CID 114746248

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol?
The IUPAC name of 1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol (CID 114743669) is 1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol.
What is the SMILES notation for 1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol?
The canonical SMILES for 1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol is CCC(O)(CN)c1cccc2c1OCCC2.
What is the InChIKey of 1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol?
The InChIKey is MFJKVGNABBJJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-13(15,9-14)11-7-3-5-10-6-4-8-16-12(10)11/h3,5,7,15H,2,4,6,8-9,14H2,1H3.
What are the key properties of 1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol?
1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol has a molecular weight of 221.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol is sourced from PubChem (CID 114743669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).