1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

C15H24ClNO4 — CID 106989052

IUPAC1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C15H24ClNO4/c1-10-5-14(15(20-4)6-13(10)16)17-7-12(18)9-21-11(2)8-19-3/h5-6,11-12,17-18H,7-9H2,1-4H3
InChIKeyOIQAQKOHOGYGCL-UHFFFAOYSA-N
MW317.81 g/mol
LogP2.48
Rot. Bonds9

About 1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106989052) has the molecular formula C15H24ClNO4 and a molecular weight of 317.81 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106989052
Molecular FormulaC15H24ClNO4
Molecular Weight317.81 g/mol
Exact Mass317.14
IUPAC Name1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C15H24ClNO4/c1-10-5-14(15(20-4)6-13(10)16)17-7-12(18)9-21-11(2)8-19-3/h5-6,11-12,17-18H,7-9H2,1-4H3
InChIKeyOIQAQKOHOGYGCL-UHFFFAOYSA-N
XLogP2.48
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140
1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989019
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol
CID 115871898
2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 47123139
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-(3-bromo-4-chloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990160
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 47123138
1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol
CID 106989088
1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol
CID 107621631
1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol
CID 106990092
1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990318

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106989052) is 1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CNc1cc(C)c(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is OIQAQKOHOGYGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO4/c1-10-5-14(15(20-4)6-13(10)16)17-7-12(18)9-21-11(2)8-19-3/h5-6,11-12,17-18H,7-9H2,1-4H3.
What are the key properties of 1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 317.81 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106989052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).