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

C22H39NO3 — CID 59040453

IUPAC(2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
SMILESCCCCC(CC)COC[C@H](O)CNC(C)(C)Cc1ccc(OC)cc1
InChIInChI=1S/C22H39NO3/c1-6-8-9-18(7-2)16-26-17-20(24)15-23-22(3,4)14-19-10-12-21(25-5)13-11-19/h10-13,18,20,23-24H,6-9,14-17H2,1-5H3/t18?,20-/m1/s1
InChIKeyOMPKFMJLRFWAOG-ROPPNANJSA-N
MW365.56 g/mol
LogP4.20
Rot. Bonds14

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

(2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol (PubChem CID 59040453) has the molecular formula C22H39NO3 and a molecular weight of 365.56 g/mol. Its IUPAC name is (2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
PubChem CID59040453
Molecular FormulaC22H39NO3
Molecular Weight365.56 g/mol
Exact Mass365.29
IUPAC Name(2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
SMILESCCCCC(CC)COC[C@H](O)CNC(C)(C)Cc1ccc(OC)cc1
InChIInChI=1S/C22H39NO3/c1-6-8-9-18(7-2)16-26-17-20(24)15-23-22(3,4)14-19-10-12-21(25-5)13-11-19/h10-13,18,20,23-24H,6-9,14-17H2,1-5H3/t18?,20-/m1/s1
InChIKeyOMPKFMJLRFWAOG-ROPPNANJSA-N
XLogP4.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(4-hexoxyphenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 10296289
1-(2-ethylhexoxy)-3-[(1-methoxy-2-methylpropan-2-yl)amino]propan-2-ol
CID 115609499
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol
CID 22640903
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-(4-propylphenoxy)propan-2-ol;hydrochloride
CID 22640809
(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-adamantylmethoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 22640802
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-4-phenylbutan-2-ol
CID 22640950
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]dec-9-en-2-ol
CID 22640829
(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 59040452
1-(2-ethylhexoxy)-3-(4-iodoanilino)propan-2-ol
CID 63489545
1-(2-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 22640862

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol (CID 59040453) is (2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol is CCCCC(CC)COC[C@H](O)CNC(C)(C)Cc1ccc(OC)cc1.
What is the InChIKey of (2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol?
The InChIKey is OMPKFMJLRFWAOG-ROPPNANJSA-N. The full InChI is InChI=1S/C22H39NO3/c1-6-8-9-18(7-2)16-26-17-20(24)15-23-22(3,4)14-19-10-12-21(25-5)13-11-19/h10-13,18,20,23-24H,6-9,14-17H2,1-5H3/t18?,20-/m1/s1.
What are the key properties of (2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol?
(2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol has a molecular weight of 365.56 g/mol, XLogP of 4.20, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethylhexoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 59040453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).