1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol

C16H18ClNO3 — CID 60898981

IUPAC1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
SMILESCOc1ccccc1NCC(O)COc1ccccc1Cl
InChIInChI=1S/C16H18ClNO3/c1-20-16-9-5-3-7-14(16)18-10-12(19)11-21-15-8-4-2-6-13(15)17/h2-9,12,18-19H,10-11H2,1H3
InChIKeyDRSJHELMRNDAIV-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.20
Rot. Bonds7

About 1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol

1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol (PubChem CID 60898981) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
PubChem CID60898981
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
SMILESCOc1ccccc1NCC(O)COc1ccccc1Cl
InChIInChI=1S/C16H18ClNO3/c1-20-16-9-5-3-7-14(16)18-10-12(19)11-21-15-8-4-2-6-13(15)17/h2-9,12,18-19H,10-11H2,1H3
InChIKeyDRSJHELMRNDAIV-UHFFFAOYSA-N
XLogP3.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_E(1)', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroanilino)-3-methoxypropan-2-ol
CID 63929228
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
CID 60899964
1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60899171
(2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol
CID 51699355
1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol
CID 60898768
4-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]benzonitrile
CID 60901052
1-(2-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 22640862
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
1-(3-chloro-5-fluoroanilino)-3-(2-chlorophenoxy)propan-2-ol
CID 107365030
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106254970
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol?
The IUPAC name of 1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol (CID 60898981) is 1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol?
The canonical SMILES for 1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol is COc1ccccc1NCC(O)COc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol?
The InChIKey is DRSJHELMRNDAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-20-16-9-5-3-7-14(16)18-10-12(19)11-21-15-8-4-2-6-13(15)17/h2-9,12,18-19H,10-11H2,1H3.
What are the key properties of 1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol?
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol has a molecular weight of 307.78 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol is sourced from PubChem (CID 60898981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).