2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol

C15H23NO2 — CID 81412763

IUPAC2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC1CCOc2ccccc21
InChIInChI=1S/C15H23NO2/c1-3-15(2,11-17)10-16-13-8-9-18-14-7-5-4-6-12(13)14/h4-7,13,16-17H,3,8-11H2,1-2H3
InChIKeyRAPIKWDJFYCSOZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.51
Rot. Bonds5

About 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol

2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol (PubChem CID 81412763) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol
PubChem CID81412763
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC1CCOc2ccccc21
InChIInChI=1S/C15H23NO2/c1-3-15(2,11-17)10-16-13-8-9-18-14-7-5-4-6-12(13)14/h4-7,13,16-17H,3,8-11H2,1-2H3
InChIKeyRAPIKWDJFYCSOZ-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 79558893
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
CID 62365912
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol
CID 114750660
2-[[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 103904595
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 62977569

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol (CID 81412763) is 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNC1CCOc2ccccc21.
What is the InChIKey of 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol?
The InChIKey is RAPIKWDJFYCSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-15(2,11-17)10-16-13-8-9-18-14-7-5-4-6-12(13)14/h4-7,13,16-17H,3,8-11H2,1-2H3.
What are the key properties of 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol?
2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81412763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).