3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol

C14H21NO2 — CID 84698810

IUPAC3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol
SMILESCC1(C)CCc2cccc(C(O)CCN)c2O1
InChIInChI=1S/C14H21NO2/c1-14(2)8-6-10-4-3-5-11(13(10)17-14)12(16)7-9-15/h3-5,12,16H,6-9,15H2,1-2H3
InChIKeyZRZQMLVHARZFRY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.17
Rot. Bonds3

About 3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol

3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol (PubChem CID 84698810) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol
PubChem CID84698810
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol
SMILESCC1(C)CCc2cccc(C(O)CCN)c2O1
InChIInChI=1S/C14H21NO2/c1-14(2)8-6-10-4-3-5-11(13(10)17-14)12(16)7-9-15/h3-5,12,16H,6-9,15H2,1-2H3
InChIKeyZRZQMLVHARZFRY-UHFFFAOYSA-N
XLogP2.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol
CID 84698811
3-amino-2-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanoic acid
CID 117376381
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine
CID 84673537
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol
CID 64567200
methyl 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxybutanoate
CID 64507467
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol
CID 103035139
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-2-amine
CID 117313385
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol
CID 83171234
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol
CID 64512125
4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol
CID 114744598
3-amino-1-(2-propan-2-ylphenyl)propan-1-ol
CID 82605381

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol (CID 84698810) is 3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol is CC1(C)CCc2cccc(C(O)CCN)c2O1.
What is the InChIKey of 3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol?
The InChIKey is ZRZQMLVHARZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2)8-6-10-4-3-5-11(13(10)17-14)12(16)7-9-15/h3-5,12,16H,6-9,15H2,1-2H3.
What are the key properties of 3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol?
3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol is sourced from PubChem (CID 84698810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).