4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol

C14H22N2O2 — CID 117039127

IUPAC4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol
SMILESCN(CC(O)CCN)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H22N2O2/c1-16(10-13(17)6-7-15)12-4-5-14-11(9-12)3-2-8-18-14/h4-5,9,13,17H,2-3,6-8,10,15H2,1H3
InChIKeyJPJYGPPPXACHGD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.16
Rot. Bonds5

About 4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol

4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol (PubChem CID 117039127) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol
PubChem CID117039127
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol
SMILESCN(CC(O)CCN)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H22N2O2/c1-16(10-13(17)6-7-15)12-4-5-14-11(9-12)3-2-8-18-14/h4-5,9,13,17H,2-3,6-8,10,15H2,1H3
InChIKeyJPJYGPPPXACHGD-UHFFFAOYSA-N
XLogP1.16
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]propane-1,2-diol
CID 115122056
4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide
CID 115155987
N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252439
N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine
CID 115212433
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide
CID 115153584
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137444
1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205260
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide
CID 115154596
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-2-oxoacetic acid
CID 115141251
5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 117039136
4-amino-1-(N-methyl-4-propylanilino)butan-2-ol
CID 117039080

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol?
The IUPAC name of 4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol (CID 117039127) is 4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol.
What is the SMILES notation for 4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol?
The canonical SMILES for 4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol is CN(CC(O)CCN)c1ccc2c(c1)CCCO2.
What is the InChIKey of 4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol?
The InChIKey is JPJYGPPPXACHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(10-13(17)6-7-15)12-4-5-14-11(9-12)3-2-8-18-14/h4-5,9,13,17H,2-3,6-8,10,15H2,1H3.
What are the key properties of 4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol?
4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol is sourced from PubChem (CID 117039127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).