1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol

C18H31NO2 — CID 83142673

IUPAC1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
SMILESCC(OCC(O)CNCC(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H31NO2/c1-14(18(3,4)5)11-19-12-17(20)13-21-15(2)16-9-7-6-8-10-16/h6-10,14-15,17,19-20H,11-13H2,1-5H3
InChIKeyQNVPVYFPBGGBCM-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.40
Rot. Bonds8

About 1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol

1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol (PubChem CID 83142673) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
PubChem CID83142673
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
SMILESCC(OCC(O)CNCC(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H31NO2/c1-14(18(3,4)5)11-19-12-17(20)13-21-15(2)16-9-7-6-8-10-16/h6-10,14-15,17,19-20H,11-13H2,1-5H3
InChIKeyQNVPVYFPBGGBCM-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 114942117
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
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250235
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
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-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 63000890
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-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol?
The IUPAC name of 1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol (CID 83142673) is 1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol.
What is the SMILES notation for 1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol?
The canonical SMILES for 1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol is CC(OCC(O)CNCC(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol?
The InChIKey is QNVPVYFPBGGBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(18(3,4)5)11-19-12-17(20)13-21-15(2)16-9-7-6-8-10-16/h6-10,14-15,17,19-20H,11-13H2,1-5H3.
What are the key properties of 1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol?
1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol is sourced from PubChem (CID 83142673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).