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

C11H12ClNO — CID 60724752

IUPAC1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol
SMILESC#CCNCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c1-2-7-13-8-11(14)9-3-5-10(12)6-4-9/h1,3-6,11,13-14H,7-8H2
InChIKeyQNPUQROFSCXIBZ-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.60
Rot. Bonds4

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

1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol (PubChem CID 60724752) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol
PubChem CID60724752
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol
SMILESC#CCNCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c1-2-7-13-8-11(14)9-3-5-10(12)6-4-9/h1,3-6,11,13-14H,7-8H2
InChIKeyQNPUQROFSCXIBZ-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.60
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-phenyl-2-(prop-2-ynylamino)ethanol
CID 4724225
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384
1-[4-(2-methylpropyl)phenyl]-2-(prop-2-ynylamino)ethanol
CID 60903530
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577747
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 62118821
4-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 93355702
1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol
CID 82312948
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol (CID 60724752) is 1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol is C#CCNCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol?
The InChIKey is QNPUQROFSCXIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-2-7-13-8-11(14)9-3-5-10(12)6-4-9/h1,3-6,11,13-14H,7-8H2.
What are the key properties of 1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol?
1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol has a molecular weight of 209.68 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol is sourced from PubChem (CID 60724752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).