1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

C14H22ClNO4 — CID 106989140

IUPAC1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO4/c1-10(8-18-2)20-9-12(17)7-16-13-6-11(15)4-5-14(13)19-3/h4-6,10,12,16-17H,7-9H2,1-3H3
InChIKeyUXJUEAZJSBDLEI-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.17
Rot. Bonds9

About 1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106989140) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106989140
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Name1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO4/c1-10(8-18-2)20-9-12(17)7-16-13-6-11(15)4-5-14(13)19-3/h4-6,10,12,16-17H,7-9H2,1-3H3
InChIKeyUXJUEAZJSBDLEI-UHFFFAOYSA-N
XLogP2.17
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-methoxyanilino)-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-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989019
1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141
1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60897921
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989052
1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol
CID 60897922
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898114
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275
1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929656
5-chloro-2-methoxy-N-(2-phenylpropyl)aniline
CID 43105776
1-[4-chloro-2-(1-hydroxyethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991081

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106989140) is 1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CNc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is UXJUEAZJSBDLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO4/c1-10(8-18-2)20-9-12(17)7-16-13-6-11(15)4-5-14(13)19-3/h4-6,10,12,16-17H,7-9H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 303.79 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106989140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).