1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol

C12H15NO2 — CID 60903384

IUPAC1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
SMILESC#CCNCC(O)c1ccc(OC)cc1
InChIInChI=1S/C12H15NO2/c1-3-8-13-9-12(14)10-4-6-11(15-2)7-5-10/h1,4-7,12-14H,8-9H2,2H3
InChIKeyNRPMQQKWQMUQHP-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.95
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol

1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol (PubChem CID 60903384) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
PubChem CID60903384
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
SMILESC#CCNCC(O)c1ccc(OC)cc1
InChIInChI=1S/C12H15NO2/c1-3-8-13-9-12(14)10-4-6-11(15-2)7-5-10/h1,4-7,12-14H,8-9H2,2H3
InChIKeyNRPMQQKWQMUQHP-UHFFFAOYSA-N
XLogP0.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60724752
1-phenyl-2-(prop-2-ynylamino)ethanol
CID 4724225
1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 114093465
1-[4-(2-methylpropyl)phenyl]-2-(prop-2-ynylamino)ethanol
CID 60903530
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
1-(4-methoxyphenyl)-2-(3-methylsulfanylpropylamino)ethanol
CID 60760535
4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol
CID 81130882
2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate
CID 83209205
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]acetamide
CID 54938253
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol (CID 60903384) is 1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol is C#CCNCC(O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol?
The InChIKey is NRPMQQKWQMUQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-8-13-9-12(14)10-4-6-11(15-2)7-5-10/h1,4-7,12-14H,8-9H2,2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol?
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol has a molecular weight of 205.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol is sourced from PubChem (CID 60903384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).