2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol

C13H19NO2 — CID 82242253

IUPAC2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C13H19NO2/c1-13(2,14)12(15)10-5-6-11-9(8-10)4-3-7-16-11/h5-6,8,12,15H,3-4,7,14H2,1-2H3
InChIKeyCDRYWEHLFJELGM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.78
Rot. Bonds2

About 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol

2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol (PubChem CID 82242253) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
PubChem CID82242253
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C13H19NO2/c1-13(2,14)12(15)10-5-6-11-9(8-10)4-3-7-16-11/h5-6,8,12,15H,3-4,7,14H2,1-2H3
InChIKeyCDRYWEHLFJELGM-UHFFFAOYSA-N
XLogP1.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
CID 66039061
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
CID 116942558
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
CID 65297971
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol
CID 106828329
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid
CID 62932980
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide
CID 62932981
1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62538318
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol
CID 79684302

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol (CID 82242253) is 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol is CC(C)(N)C(O)c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol?
The InChIKey is CDRYWEHLFJELGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,14)12(15)10-5-6-11-9(8-10)4-3-7-16-11/h5-6,8,12,15H,3-4,7,14H2,1-2H3.
What are the key properties of 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol?
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 82242253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).