2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol

C12H18ClNO2 — CID 62772834

IUPAC2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-12(15,9-14-6-7-16-2)10-4-3-5-11(13)8-10/h3-5,8,14-15H,6-7,9H2,1-2H3
InChIKeyOWVQODIFPLORRR-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.78
Rot. Bonds6

About 2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol

2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol (PubChem CID 62772834) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
PubChem CID62772834
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-12(15,9-14-6-7-16-2)10-4-3-5-11(13)8-10/h3-5,8,14-15H,6-7,9H2,1-2H3
InChIKeyOWVQODIFPLORRR-UHFFFAOYSA-N
XLogP1.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
CID 63517133
2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 114607159
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62773797
2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 133472972
1-(2-methoxyethylamino)-2-quinolin-7-ylpropan-2-ol
CID 81221998
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol
CID 66037072
1-(2-methoxyethylamino)-2-pyrimidin-5-ylpropan-2-ol
CID 66038263
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62775363
3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide
CID 51128640

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol (CID 62772834) is 2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol is COCCNCC(C)(O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol?
The InChIKey is OWVQODIFPLORRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-12(15,9-14-6-7-16-2)10-4-3-5-11(13)8-10/h3-5,8,14-15H,6-7,9H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol?
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol has a molecular weight of 243.73 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 62772834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).