1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol

C13H17NO — CID 105082393

IUPAC1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol
SMILESCC#CCC(O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H17NO/c1-4-5-9-13(15)11-7-6-8-12(10-11)14(2)3/h6-8,10,13,15H,9H2,1-3H3
InChIKeyDZYGTBWWRLXOAK-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.20
Rot. Bonds3

About 1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol

1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol (PubChem CID 105082393) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol
PubChem CID105082393
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol
SMILESCC#CCC(O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H17NO/c1-4-5-9-13(15)11-7-6-8-12(10-11)14(2)3/h6-8,10,13,15H,9H2,1-3H3
InChIKeyDZYGTBWWRLXOAK-UHFFFAOYSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol
CID 105076156
3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
CID 82605939
1-[3-(dimethylamino)phenyl]-3-methylbut-3-en-1-ol
CID 105110020
3-chloro-1-[3-(dimethylamino)phenyl]propane-1,2-diol
CID 171862083
2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105077529
2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol
CID 70463295
1-[3-(dimethylamino)phenyl]-2-(furan-2-yl)ethanol
CID 105122910
1-[3-(dimethylamino)phenyl]-4-methylsulfonylbutan-1-ol
CID 105082550
[3-(dimethylamino)phenyl]-(methylamino)methanol
CID 59725197
1-[3-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol
CID 105096689
1-(4-methylphenyl)pent-3-yn-1-ol
CID 15001308
(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
CID 146049704

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol?
The IUPAC name of 1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol (CID 105082393) is 1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol is CC#CCC(O)c1cccc(N(C)C)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol?
The InChIKey is DZYGTBWWRLXOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-5-9-13(15)11-7-6-8-12(10-11)14(2)3/h6-8,10,13,15H,9H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol?
1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol has a molecular weight of 203.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol is sourced from PubChem (CID 105082393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).