1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol

C17H29NO3 — CID 22640903

IUPAC1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccc(CC(C)(C)NCC(O)COC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-13(2)21-12-15(19)11-18-17(3,4)10-14-6-8-16(20-5)9-7-14/h6-9,13,15,18-19H,10-12H2,1-5H3
InChIKeyZQHWODXZRMZGFX-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.39
Rot. Bonds9

About 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol

1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 22640903) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID22640903
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccc(CC(C)(C)NCC(O)COC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-13(2)21-12-15(19)11-18-17(3,4)10-14-6-8-16(20-5)9-7-14/h6-9,13,15,18-19H,10-12H2,1-5H3
InChIKeyZQHWODXZRMZGFX-UHFFFAOYSA-N
XLogP2.39
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propane-1,2-diol
CID 70597929
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-(4-methylphenoxy)propan-2-ol;hydrochloride
CID 22640931
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-(4-propylphenoxy)propan-2-ol;hydrochloride
CID 22640809
(2S)-1-(4-hexoxyphenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 10296289
(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 59040452
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-4-phenylbutan-2-ol
CID 22640950
1-(2-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 22640862
1-(1,3-benzodioxol-5-yloxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 18667766
(2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 59040453
1-(1-adamantylmethoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 22640802
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]dec-9-en-2-ol
CID 22640829
(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylpropan-2-yloxy)propan-2-ol
CID 46891320

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol (CID 22640903) is 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol is COc1ccc(CC(C)(C)NCC(O)COC(C)C)cc1.
What is the InChIKey of 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is ZQHWODXZRMZGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13(2)21-12-15(19)11-18-17(3,4)10-14-6-8-16(20-5)9-7-14/h6-9,13,15,18-19H,10-12H2,1-5H3.
What are the key properties of 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol?
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 22640903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).