3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol

C20H28N2O2 — CID 110830648

IUPAC3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
SMILESCC(C)Oc1ccc(C(O)CCN(C)CCc2ccncc2)cc1
InChIInChI=1S/C20H28N2O2/c1-16(2)24-19-6-4-18(5-7-19)20(23)11-15-22(3)14-10-17-8-12-21-13-9-17/h4-9,12-13,16,20,23H,10-11,14-15H2,1-3H3
InChIKeyKOGARYAIHIFIQM-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.47
Rot. Bonds9

About 3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol

3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol (PubChem CID 110830648) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
PubChem CID110830648
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
SMILESCC(C)Oc1ccc(C(O)CCN(C)CCc2ccncc2)cc1
InChIInChI=1S/C20H28N2O2/c1-16(2)24-19-6-4-18(5-7-19)20(23)11-15-22(3)14-10-17-8-12-21-13-9-17/h4-9,12-13,16,20,23H,10-11,14-15H2,1-3H3
InChIKeyKOGARYAIHIFIQM-UHFFFAOYSA-N
XLogP3.47
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82136106
N-methyl-4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)benzamide
CID 110762446
1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 62630143
N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine
CID 115259585
3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 63629114
1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82073844
2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64825859
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109026228
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490
4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline
CID 60863119

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol?
The IUPAC name of 3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol (CID 110830648) is 3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol.
What is the SMILES notation for 3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol?
The canonical SMILES for 3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol is CC(C)Oc1ccc(C(O)CCN(C)CCc2ccncc2)cc1.
What is the InChIKey of 3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol?
The InChIKey is KOGARYAIHIFIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16(2)24-19-6-4-18(5-7-19)20(23)11-15-22(3)14-10-17-8-12-21-13-9-17/h4-9,12-13,16,20,23H,10-11,14-15H2,1-3H3.
What are the key properties of 3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol?
3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol has a molecular weight of 328.46 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol is sourced from PubChem (CID 110830648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).