1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol

C18H29NO2 — CID 79352877

IUPAC1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
SMILESCC(OCC(O)CNC1C(C)(C)C1(C)C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-13(14-9-7-6-8-10-14)21-12-15(20)11-19-16-17(2,3)18(16,4)5/h6-10,13,15-16,19-20H,11-12H2,1-5H3
InChIKeyWTWZZZYVIVDJPP-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.15
Rot. Bonds7

About 1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol

1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol (PubChem CID 79352877) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
PubChem CID79352877
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
SMILESCC(OCC(O)CNC1C(C)(C)C1(C)C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-13(14-9-7-6-8-10-14)21-12-15(20)11-19-16-17(2,3)18(16,4)5/h6-10,13,15-16,19-20H,11-12H2,1-5H3
InChIKeyWTWZZZYVIVDJPP-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol with MolForge

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Related Compounds

1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746
1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 55071380
1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 60910129
(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol
CID 97321907
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
CID 54938755
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250235
1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol
CID 63837243
1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83142673
1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60902275
(2S)-2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79249364

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
The IUPAC name of 1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol (CID 79352877) is 1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
The canonical SMILES for 1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol is CC(OCC(O)CNC1C(C)(C)C1(C)C)c1ccccc1.
What is the InChIKey of 1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
The InChIKey is WTWZZZYVIVDJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(14-9-7-6-8-10-14)21-12-15(20)11-19-16-17(2,3)18(16,4)5/h6-10,13,15-16,19-20H,11-12H2,1-5H3.
What are the key properties of 1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol has a molecular weight of 291.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol is sourced from PubChem (CID 79352877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).