(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol

C11H17NO2 — CID 1078645

IUPAC(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
SMILESCOC[C@H](O)CNc1ccc(C)cc1
InChIInChI=1S/C11H17NO2/c1-9-3-5-10(6-4-9)12-7-11(13)8-14-2/h3-6,11-13H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyVXWJYUZOLMIQAL-LLVKDONJSA-N
MW195.26 g/mol
LogP1.41
Rot. Bonds5

About (2R)-1-methoxy-3-(4-methylanilino)propan-2-ol

(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol (PubChem CID 1078645) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2R)-1-methoxy-3-(4-methylanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
PubChem CID1078645
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
SMILESCOC[C@H](O)CNc1ccc(C)cc1
InChIInChI=1S/C11H17NO2/c1-9-3-5-10(6-4-9)12-7-11(13)8-14-2/h3-6,11-13H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyVXWJYUZOLMIQAL-LLVKDONJSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63931302
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377
1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
CID 112647844
1-methoxy-3-(3-methyl-4-nitroanilino)propan-2-ol
CID 56791636
1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol
CID 63929256
1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol
CID 115378094
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol
CID 107621631
1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159253549
1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
CID 60899568
1-[2-hydroxy-3-(oxiran-2-ylmethoxy)propoxy]-3-(4-methylanilino)propan-2-ol
CID 171439816
(2R)-1,1,1-trifluoro-4-[4-[[(2R)-2-hydroxy-3-methoxypropyl]amino]phenoxy]butan-2-ol
CID 15410313

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-3-(4-methylanilino)propan-2-ol?
The IUPAC name of (2R)-1-methoxy-3-(4-methylanilino)propan-2-ol (CID 1078645) is (2R)-1-methoxy-3-(4-methylanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-methoxy-3-(4-methylanilino)propan-2-ol?
The canonical SMILES for (2R)-1-methoxy-3-(4-methylanilino)propan-2-ol is COC[C@H](O)CNc1ccc(C)cc1.
What is the InChIKey of (2R)-1-methoxy-3-(4-methylanilino)propan-2-ol?
The InChIKey is VXWJYUZOLMIQAL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-3-5-10(6-4-9)12-7-11(13)8-14-2/h3-6,11-13H,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-methoxy-3-(4-methylanilino)propan-2-ol?
(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-3-(4-methylanilino)propan-2-ol is sourced from PubChem (CID 1078645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).