2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol

C11H15NO — CID 82125221

IUPAC2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CC2)cc1
InChIInChI=1S/C11H15NO/c1-9-2-4-10(5-3-9)11(13)8-12-6-7-12/h2-5,11,13H,6-8H2,1H3
InChIKeyLKEOYGINYNVUAM-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.34
Rot. Bonds3

About 2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol

2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol (PubChem CID 82125221) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
PubChem CID82125221
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CC2)cc1
InChIInChI=1S/C11H15NO/c1-9-2-4-10(5-3-9)11(13)8-12-6-7-12/h2-5,11,13H,6-8H2,1H3
InChIKeyLKEOYGINYNVUAM-UHFFFAOYSA-N
XLogP1.34
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol
CID 111476786
1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 82215753
1-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 111476546
2,6-ditert-butyl-4-[[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]methyl]phenol
CID 143932145
[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 111476671
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]acetamide
CID 129489844
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol
CID 167888942
(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610546
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110910508
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 51501364
(1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 95104734

Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol (CID 82125221) is 2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)CN2CC2)cc1.
What is the InChIKey of 2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol?
The InChIKey is LKEOYGINYNVUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-2-4-10(5-3-9)11(13)8-12-6-7-12/h2-5,11,13H,6-8H2,1H3.
What are the key properties of 2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol?
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol has a molecular weight of 177.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 82125221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).