1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol

C19H20N2O2 — CID 133300798

IUPAC1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol
SMILESCc1cccc(OCC(O)CNc2ccc3ccccc3n2)c1
InChIInChI=1S/C19H20N2O2/c1-14-5-4-7-17(11-14)23-13-16(22)12-20-19-10-9-15-6-2-3-8-18(15)21-19/h2-11,16,22H,12-13H2,1H3,(H,20,21)
InChIKeyRTYNHCSAOLHCEU-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.40
Rot. Bonds6

About 1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol

1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol (PubChem CID 133300798) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol
PubChem CID133300798
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol
SMILESCc1cccc(OCC(O)CNc2ccc3ccccc3n2)c1
InChIInChI=1S/C19H20N2O2/c1-14-5-4-7-17(11-14)23-13-16(22)12-20-19-10-9-15-6-2-3-8-18(15)21-19/h2-11,16,22H,12-13H2,1H3,(H,20,21)
InChIKeyRTYNHCSAOLHCEU-UHFFFAOYSA-N
XLogP3.40
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol
CID 167779132
1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133309828
(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-(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-(3-methylphenoxy)butan-2-ol
CID 13089920
1-(4-bromo-2-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60897286
1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 115609672
1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 115609480

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol (CID 133300798) is 1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol is Cc1cccc(OCC(O)CNc2ccc3ccccc3n2)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol?
The InChIKey is RTYNHCSAOLHCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-5-4-7-17(11-14)23-13-16(22)12-20-19-10-9-15-6-2-3-8-18(15)21-19/h2-11,16,22H,12-13H2,1H3,(H,20,21).
What are the key properties of 1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol?
1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol has a molecular weight of 308.38 g/mol, XLogP of 3.40, 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-(quinolin-2-ylamino)propan-2-ol is sourced from PubChem (CID 133300798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).