3-[4-(methylamino)phenyl]prop-2-yn-1-ol

C10H11NO — CID 22986794

IUPAC3-[4-(methylamino)phenyl]prop-2-yn-1-ol
SMILESCNc1ccc(C#CCO)cc1
InChIInChI=1S/C10H11NO/c1-11-10-6-4-9(5-7-10)3-2-8-12/h4-7,11-12H,8H2,1H3
InChIKeyFVYVMFVOERZEMP-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.07
Rot. Bonds1

About 3-[4-(methylamino)phenyl]prop-2-yn-1-ol

3-[4-(methylamino)phenyl]prop-2-yn-1-ol (PubChem CID 22986794) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-[4-(methylamino)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-(methylamino)phenyl]prop-2-yn-1-ol
PubChem CID22986794
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-[4-(methylamino)phenyl]prop-2-yn-1-ol
SMILESCNc1ccc(C#CCO)cc1
InChIInChI=1S/C10H11NO/c1-11-10-6-4-9(5-7-10)3-2-8-12/h4-7,11-12H,8H2,1H3
InChIKeyFVYVMFVOERZEMP-UHFFFAOYSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(4-pent-1-ynylphenyl)aniline
CID 170792498
[4-(3-hydroxyprop-1-ynyl)phenyl]thiourea
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N-methyl-4-[8-[4-(methylamino)phenyl]octa-1,3,5,7-tetraynyl]aniline
CID 122214138
ethane;3-(4-fluorophenyl)prop-2-yn-1-ol
CID 163382607
3-(4-fluorophenyl)prop-2-yn-1-ol
CID 2782698
3-(4-aminophenyl)prop-2-yn-1-ol
CID 23345652
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 60803615
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide
CID 64553499
N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 60803102
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60803282
N-hydroxy-2-[[4-(3-hydroxyprop-1-ynyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 130207847
3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol
CID 101217736

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-(methylamino)phenyl]prop-2-yn-1-ol (CID 22986794) is 3-[4-(methylamino)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-(methylamino)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-(methylamino)phenyl]prop-2-yn-1-ol is CNc1ccc(C#CCO)cc1.
What is the InChIKey of 3-[4-(methylamino)phenyl]prop-2-yn-1-ol?
The InChIKey is FVYVMFVOERZEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-11-10-6-4-9(5-7-10)3-2-8-12/h4-7,11-12H,8H2,1H3.
What are the key properties of 3-[4-(methylamino)phenyl]prop-2-yn-1-ol?
3-[4-(methylamino)phenyl]prop-2-yn-1-ol has a molecular weight of 161.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylamino)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 22986794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).