1-anilino-3-(4-methoxyphenoxy)propan-2-ol

C16H19NO3 — CID 45153561

IUPAC1-anilino-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNc2ccccc2)cc1
InChIInChI=1S/C16H19NO3/c1-19-15-7-9-16(10-8-15)20-12-14(18)11-17-13-5-3-2-4-6-13/h2-10,14,17-18H,11-12H2,1H3
InChIKeyMQGGMGROWMPJMB-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.55
Rot. Bonds7

About 1-anilino-3-(4-methoxyphenoxy)propan-2-ol

1-anilino-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 45153561) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-anilino-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-anilino-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID45153561
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-anilino-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNc2ccccc2)cc1
InChIInChI=1S/C16H19NO3/c1-19-15-7-9-16(10-8-15)20-12-14(18)11-17-13-5-3-2-4-6-13/h2-10,14,17-18H,11-12H2,1H3
InChIKeyMQGGMGROWMPJMB-UHFFFAOYSA-N
XLogP2.55
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60719999
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
1-anilino-3-(4-nitrophenoxy)propan-2-ol
CID 2883975
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078
1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60901883
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 6930429
1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol
CID 60903981
N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide
CID 23325745
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-anilino-3-(4-methoxyphenoxy)propan-2-ol (CID 45153561) is 1-anilino-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-anilino-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-anilino-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)CNc2ccccc2)cc1.
What is the InChIKey of 1-anilino-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is MQGGMGROWMPJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-15-7-9-16(10-8-15)20-12-14(18)11-17-13-5-3-2-4-6-13/h2-10,14,17-18H,11-12H2,1H3.
What are the key properties of 1-anilino-3-(4-methoxyphenoxy)propan-2-ol?
1-anilino-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 273.33 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 45153561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).