1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol

C16H27NO4 — CID 78896461

IUPAC1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccccc1OCCN(C)CC(O)COC(C)C
InChIInChI=1S/C16H27NO4/c1-13(2)21-12-14(18)11-17(3)9-10-20-16-8-6-5-7-15(16)19-4/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyCZSCMTURXVBBNA-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.79
Rot. Bonds10

About 1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol

1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 78896461) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID78896461
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccccc1OCCN(C)CC(O)COC(C)C
InChIInChI=1S/C16H27NO4/c1-13(2)21-12-14(18)11-17(3)9-10-20-16-8-6-5-7-15(16)19-4/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyCZSCMTURXVBBNA-UHFFFAOYSA-N
XLogP1.79
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915931
methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60965015
1-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 78820677
1-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-3-methoxypropan-2-ol
CID 54993616
1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(2-methoxy-4-prop-1-enylphenoxy)propan-2-ol
CID 55436564
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine
CID 14895640
1-[(2-methoxyphenyl)methyl-(3-methylbutyl)amino]-3-propan-2-yloxypropan-2-ol
CID 42836968
3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol
CID 46986793
1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol
CID 53355364
[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid
CID 54242139
1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 81058463
1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81036228

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol (CID 78896461) is 1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol is COc1ccccc1OCCN(C)CC(O)COC(C)C.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is CZSCMTURXVBBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-13(2)21-12-14(18)11-17(3)9-10-20-16-8-6-5-7-15(16)19-4/h5-8,13-14,18H,9-12H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol?
1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 297.39 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 78896461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).