1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol

C11H16ClNO3 — CID 107621631

IUPAC1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccc(Cl)c(OC)c1
InChIInChI=1S/C11H16ClNO3/c1-15-7-9(14)6-13-8-3-4-10(12)11(5-8)16-2/h3-5,9,13-14H,6-7H2,1-2H3
InChIKeyQUQFNKQXYJPPHX-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.77
Rot. Bonds6

About 1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol

1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol (PubChem CID 107621631) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol
PubChem CID107621631
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccc(Cl)c(OC)c1
InChIInChI=1S/C11H16ClNO3/c1-15-7-9(14)6-13-8-3-4-10(12)11(5-8)16-2/h3-5,9,13-14H,6-7H2,1-2H3
InChIKeyQUQFNKQXYJPPHX-UHFFFAOYSA-N
XLogP1.77
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 107272154
1-(4-chloro-3-methoxyanilino)-3-[2-(oxiran-2-ylmethoxy)ethoxy]propan-2-ol
CID 58517382
1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60899181
methyl 3-(4-chloro-3-methoxyanilino)-2-methylpropanoate
CID 107621442
1-(3-bromo-4-chloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990160
1-chloro-3-(4-fluoro-3-methoxyanilino)propan-2-ol
CID 168636388
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377
(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
CID 1078645
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol
CID 115378094
1-(4-bromo-3-methoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 82860837
1-(2-chloroanilino)-3-methoxypropan-2-ol
CID 63929228

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol (CID 107621631) is 1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol is COCC(O)CNc1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol?
The InChIKey is QUQFNKQXYJPPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-15-7-9(14)6-13-8-3-4-10(12)11(5-8)16-2/h3-5,9,13-14H,6-7H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol?
1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol has a molecular weight of 245.71 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol is sourced from PubChem (CID 107621631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).