1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol

C20H22N2O2 — CID 167779132

IUPAC1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol
SMILESCc1cccc(OCC(O)CNc2nc3ccccc3cc2C)c1
InChIInChI=1S/C20H22N2O2/c1-14-6-5-8-18(10-14)24-13-17(23)12-21-20-15(2)11-16-7-3-4-9-19(16)22-20/h3-11,17,23H,12-13H2,1-2H3,(H,21,22)
InChIKeyJBMZERHCTSZMPD-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.70
Rot. Bonds6

About 1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol

1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol (PubChem CID 167779132) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol
PubChem CID167779132
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol
SMILESCc1cccc(OCC(O)CNc2nc3ccccc3cc2C)c1
InChIInChI=1S/C20H22N2O2/c1-14-6-5-8-18(10-14)24-13-17(23)12-21-20-15(2)11-16-7-3-4-9-19(16)22-20/h3-11,17,23H,12-13H2,1-2H3,(H,21,22)
InChIKeyJBMZERHCTSZMPD-UHFFFAOYSA-N
XLogP3.70
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol
CID 133300798
(2S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125137805
1-(3-methylphenoxy)-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644730
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
1-(4-bromo-2-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60897286
1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133309828
1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60898164
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392297
1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol
CID 63296727
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 115609672

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol (CID 167779132) is 1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol is Cc1cccc(OCC(O)CNc2nc3ccccc3cc2C)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol?
The InChIKey is JBMZERHCTSZMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-6-5-8-18(10-14)24-13-17(23)12-21-20-15(2)11-16-7-3-4-9-19(16)22-20/h3-11,17,23H,12-13H2,1-2H3,(H,21,22).
What are the key properties of 1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol?
1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol has a molecular weight of 322.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 167779132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).