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

C15H25NO3 — CID 63365326

IUPAC3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
SMILESCOc1ccccc1OCCN(CCCO)C(C)C
InChIInChI=1S/C15H25NO3/c1-13(2)16(9-6-11-17)10-12-19-15-8-5-4-7-14(15)18-3/h4-5,7-8,13,17H,6,9-12H2,1-3H3
InChIKeyMPWBICZLOMRQSG-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.17
Rot. Bonds9

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

3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol (PubChem CID 63365326) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
PubChem CID63365326
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
SMILESCOc1ccccc1OCCN(CCCO)C(C)C
InChIInChI=1S/C15H25NO3/c1-13(2)16(9-6-11-17)10-12-19-15-8-5-4-7-14(15)18-3/h4-5,7-8,13,17H,6,9-12H2,1-3H3
InChIKeyMPWBICZLOMRQSG-UHFFFAOYSA-N
XLogP2.17
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43510003
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3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
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3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022201
3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022768
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CID 2262875
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CID 66060440

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol (CID 63365326) is 3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol is COc1ccccc1OCCN(CCCO)C(C)C.
What is the InChIKey of 3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
The InChIKey is MPWBICZLOMRQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13(2)16(9-6-11-17)10-12-19-15-8-5-4-7-14(15)18-3/h4-5,7-8,13,17H,6,9-12H2,1-3H3.
What are the key properties of 3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 63365326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).