1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol

C13H19NO2 — CID 62365912

IUPAC1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
SMILESCCC(O)CNC1CCOc2ccccc21
InChIInChI=1S/C13H19NO2/c1-2-10(15)9-14-12-7-8-16-13-6-4-3-5-11(12)13/h3-6,10,12,14-15H,2,7-9H2,1H3
InChIKeyBIAHYKVMACWZPG-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.87
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol

1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol (PubChem CID 62365912) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
PubChem CID62365912
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
SMILESCCC(O)CNC1CCOc2ccccc21
InChIInChI=1S/C13H19NO2/c1-2-10(15)9-14-12-7-8-16-13-6-4-3-5-11(12)13/h3-6,10,12,14-15H,2,7-9H2,1H3
InChIKeyBIAHYKVMACWZPG-UHFFFAOYSA-N
XLogP1.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide
CID 106171125
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide
CID 62364889
2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol
CID 81412763
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
N'-(3,4-dihydro-2H-chromen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202404
1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol
CID 115719269
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol
CID 43723838
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol (CID 62365912) is 1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol is CCC(O)CNC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol?
The InChIKey is BIAHYKVMACWZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-10(15)9-14-12-7-8-16-13-6-4-3-5-11(12)13/h3-6,10,12,14-15H,2,7-9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol?
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol has a molecular weight of 221.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol is sourced from PubChem (CID 62365912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).