3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol

C16H27NO3 — CID 62022768

IUPAC3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
SMILESCCOc1ccc(OCCN(CCCO)C(C)C)cc1
InChIInChI=1S/C16H27NO3/c1-4-19-15-6-8-16(9-7-15)20-13-11-17(14(2)3)10-5-12-18/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyCXMAVLQYCXJGLV-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.56
Rot. Bonds10

About 3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol

3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol (PubChem CID 62022768) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
PubChem CID62022768
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
SMILESCCOc1ccc(OCCN(CCCO)C(C)C)cc1
InChIInChI=1S/C16H27NO3/c1-4-19-15-6-8-16(9-7-15)20-13-11-17(14(2)3)10-5-12-18/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyCXMAVLQYCXJGLV-UHFFFAOYSA-N
XLogP2.56
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022201
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039311
3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 63365326
4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid
CID 60833954
3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022557
4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040169
4-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]butanoic acid
CID 60833789
4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid
CID 55027827
4-[3-[ethyl(propan-2-yl)amino]propoxy]benzoic acid
CID 63068770
3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid
CID 62826031
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine
CID 82942694

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol (CID 62022768) is 3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol is CCOc1ccc(OCCN(CCCO)C(C)C)cc1.
What is the InChIKey of 3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
The InChIKey is CXMAVLQYCXJGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-19-15-6-8-16(9-7-15)20-13-11-17(14(2)3)10-5-12-18/h6-9,14,18H,4-5,10-13H2,1-3H3.
What are the key properties of 3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol?
3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62022768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).