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

C17H21NO4 — CID 16800318

IUPAC1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(NCC(O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO4/c1-20-15-5-3-13(4-6-15)18-11-14(19)12-22-17-9-7-16(21-2)8-10-17/h3-10,14,18-19H,11-12H2,1-2H3
InChIKeyNJVDBXADJFYVEG-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.56
Rot. Bonds8

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

1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 16800318) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID16800318
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(NCC(O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO4/c1-20-15-5-3-13(4-6-15)18-11-14(19)12-22-17-9-7-16(21-2)8-10-17/h3-10,14,18-19H,11-12H2,1-2H3
InChIKeyNJVDBXADJFYVEG-UHFFFAOYSA-N
XLogP2.56
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
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
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60719999
(2R)-1-(3,4-dimethylanilino)-3-[4-[(2R)-3-(3,4-dimethylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1362683
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol
CID 103993390
1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635112
1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol
CID 103157166
1-hexoxy-3-(4-methoxyanilino)propan-2-ol
CID 60900152

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol (CID 16800318) is 1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(NCC(O)COc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is NJVDBXADJFYVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-20-15-5-3-13(4-6-15)18-11-14(19)12-22-17-9-7-16(21-2)8-10-17/h3-10,14,18-19H,11-12H2,1-2H3.
What are the key properties of 1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol?
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 303.36 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 16800318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).