1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol

C17H29NO3 — CID 114942117

IUPAC1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol
SMILESCCOC(C)(C)CNCC(O)COC(C)c1ccccc1
InChIInChI=1S/C17H29NO3/c1-5-21-17(3,4)13-18-11-16(19)12-20-14(2)15-9-7-6-8-10-15/h6-10,14,16,18-19H,5,11-13H2,1-4H3
InChIKeyIFQTUJDXFWPUQY-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.53
Rot. Bonds10

About 1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol

1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol (PubChem CID 114942117) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol
PubChem CID114942117
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol
SMILESCCOC(C)(C)CNCC(O)COC(C)c1ccccc1
InChIInChI=1S/C17H29NO3/c1-5-21-17(3,4)13-18-11-16(19)12-20-14(2)15-9-7-6-8-10-15/h6-10,14,16,18-19H,5,11-13H2,1-4H3
InChIKeyIFQTUJDXFWPUQY-UHFFFAOYSA-N
XLogP2.53
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol with MolForge

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Related Compounds

1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83142673
1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 114941993
1-[(2-ethoxy-2-methylpropyl)amino]-3-methoxypropan-2-ol
CID 114942086
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide
CID 60901591
1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol
CID 63837243
1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60902275
methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate
CID 60925192
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea
CID 83121787
1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 47625050
1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352877

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol (CID 114942117) is 1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol is CCOC(C)(C)CNCC(O)COC(C)c1ccccc1.
What is the InChIKey of 1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is IFQTUJDXFWPUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-21-17(3,4)13-18-11-16(19)12-20-14(2)15-9-7-6-8-10-15/h6-10,14,16,18-19H,5,11-13H2,1-4H3.
What are the key properties of 1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol?
1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 114942117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).