1-phenyl-2-(prop-2-ynylamino)ethanol

C11H13NO — CID 4724225

IUPAC1-phenyl-2-(prop-2-ynylamino)ethanol
SMILESC#CCNCC(O)c1ccccc1
InChIInChI=1S/C11H13NO/c1-2-8-12-9-11(13)10-6-4-3-5-7-10/h1,3-7,11-13H,8-9H2
InChIKeyQWXFUTQZHHPCIB-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.94
Rot. Bonds4

About 1-phenyl-2-(prop-2-ynylamino)ethanol

1-phenyl-2-(prop-2-ynylamino)ethanol (PubChem CID 4724225) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-phenyl-2-(prop-2-ynylamino)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(prop-2-ynylamino)ethanol
PubChem CID4724225
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-phenyl-2-(prop-2-ynylamino)ethanol
SMILESC#CCNCC(O)c1ccccc1
InChIInChI=1S/C11H13NO/c1-2-8-12-9-11(13)10-6-4-3-5-7-10/h1,3-7,11-13H,8-9H2
InChIKeyQWXFUTQZHHPCIB-UHFFFAOYSA-N
XLogP0.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
1-[4-(2-methylpropyl)phenyl]-2-(prop-2-ynylamino)ethanol
CID 60903530
(1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine
CID 121446388
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
(2R,3R)-3-fluoro-2-methyl-3-phenyl-N-prop-2-ynylpropan-1-amine
CID 87394089
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(prop-2-ynylamino)ethanol?
The IUPAC name of 1-phenyl-2-(prop-2-ynylamino)ethanol (CID 4724225) is 1-phenyl-2-(prop-2-ynylamino)ethanol.
What is the SMILES notation for 1-phenyl-2-(prop-2-ynylamino)ethanol?
The canonical SMILES for 1-phenyl-2-(prop-2-ynylamino)ethanol is C#CCNCC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(prop-2-ynylamino)ethanol?
The InChIKey is QWXFUTQZHHPCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-8-12-9-11(13)10-6-4-3-5-7-10/h1,3-7,11-13H,8-9H2.
What are the key properties of 1-phenyl-2-(prop-2-ynylamino)ethanol?
1-phenyl-2-(prop-2-ynylamino)ethanol has a molecular weight of 175.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(prop-2-ynylamino)ethanol is sourced from PubChem (CID 4724225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).