1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol

C20H28N2O2 — CID 111462130

IUPAC1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNC(c1ncccc1C)C(C)C
InChIInChI=1S/C20H28N2O2/c1-14(2)19(20-16(4)9-7-11-21-20)22-12-17(23)13-24-18-10-6-5-8-15(18)3/h5-11,14,17,19,22-23H,12-13H2,1-4H3
InChIKeyPKVLXQRHBYPIJF-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.43
Rot. Bonds8

About 1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol

1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 111462130) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID111462130
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNC(c1ncccc1C)C(C)C
InChIInChI=1S/C20H28N2O2/c1-14(2)19(20-16(4)9-7-11-21-20)22-12-17(23)13-24-18-10-6-5-8-15(18)3/h5-11,14,17,19,22-23H,12-13H2,1-4H3
InChIKeyPKVLXQRHBYPIJF-UHFFFAOYSA-N
XLogP3.43
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81396632
1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 54332913
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol
CID 103949850
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768289
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol (CID 111462130) is 1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CNC(c1ncccc1C)C(C)C.
What is the InChIKey of 1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is PKVLXQRHBYPIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14(2)19(20-16(4)9-7-11-21-20)22-12-17(23)13-24-18-10-6-5-8-15(18)3/h5-11,14,17,19,22-23H,12-13H2,1-4H3.
What are the key properties of 1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol?
1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 328.46 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 111462130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).