3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol

C11H18N2O — CID 82605939

IUPAC3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
SMILESCN(C)c1cccc(C(O)CCN)c1
InChIInChI=1S/C11H18N2O/c1-13(2)10-5-3-4-9(8-10)11(14)6-7-12/h3-5,8,11,14H,6-7,12H2,1-2H3
InChIKeyGILRQSFXUHMYOU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.13
Rot. Bonds4

About 3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol

3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol (PubChem CID 82605939) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
PubChem CID82605939
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
SMILESCN(C)c1cccc(C(O)CCN)c1
InChIInChI=1S/C11H18N2O/c1-13(2)10-5-3-4-9(8-10)11(14)6-7-12/h3-5,8,11,14H,6-7,12H2,1-2H3
InChIKeyGILRQSFXUHMYOU-UHFFFAOYSA-N
XLogP1.13
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-(dimethylamino)phenyl]-3-methylbut-3-en-1-ol
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1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol
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1-(3-chlorophenyl)-3-[3-(dimethylamino)phenyl]propan-1-ol
CID 70524074
2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105077529
(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
CID 146049704
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
1-[3-(dimethylamino)phenyl]-2-(furan-2-yl)ethanol
CID 105122910
1-[3-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol
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CID 59725197

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol (CID 82605939) is 3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol is CN(C)c1cccc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol?
The InChIKey is GILRQSFXUHMYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13(2)10-5-3-4-9(8-10)11(14)6-7-12/h3-5,8,11,14H,6-7,12H2,1-2H3.
What are the key properties of 3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol?
3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol is sourced from PubChem (CID 82605939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).