(2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol

C25H37NO3 — CID 73354201

IUPAC(2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol
SMILESCO[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN(C(C)C)C(C)C
InChIInChI=1S/C25H37NO3/c1-19(2)26(20(3)4)17-22(27)18-29-25-14-10-9-13-23(25)24(28-5)16-15-21-11-7-6-8-12-21/h6-14,19-20,22,24,27H,15-18H2,1-5H3/t22-,24-/m1/s1
InChIKeyHOHGGHARVXUSHI-ISKFKSNPSA-N
MW399.57 g/mol
LogP4.87
Rot. Bonds12

About (2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol

(2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol (PubChem CID 73354201) has the molecular formula C25H37NO3 and a molecular weight of 399.57 g/mol. Its IUPAC name is (2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol
PubChem CID73354201
Molecular FormulaC25H37NO3
Molecular Weight399.57 g/mol
Exact Mass399.28
IUPAC Name(2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol
SMILESCO[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN(C(C)C)C(C)C
InChIInChI=1S/C25H37NO3/c1-19(2)26(20(3)4)17-22(27)18-29-25-14-10-9-13-23(25)24(28-5)16-15-21-11-7-6-8-12-21/h6-14,19-20,22,24,27H,15-18H2,1-5H3/t22-,24-/m1/s1
InChIKeyHOHGGHARVXUSHI-ISKFKSNPSA-N
XLogP4.87
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.57
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[2-(1-methoxy-3-phenylpropyl)phenoxy]propan-2-ol;dihydrochloride
CID 10347548
1-(dimethylamino)-3-[2-(6-phenylhexyl)phenoxy]propan-2-ol;hydrochloride
CID 57497649
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol
CID 121494372
(2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 95232149
1-[2-[(2S)-2-hydroxy-3-[[(2S)-2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-propylamino]propoxy]phenyl]-3-phenylpropan-1-one
CID 76956070
4-[(3R)-3-[[(2S)-2-hydroxy-3-phenoxypropyl]-[(1R)-1-hydroxy-2-phenylethyl]amino]butyl]benzamide
CID 67933175
methyl 2-[2-hydroxy-3-(4-phenylbutan-2-ylamino)propoxy]benzoate
CID 15572779
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4966118
1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141
1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea
CID 52521276

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol (CID 73354201) is (2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol is CO[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN(C(C)C)C(C)C.
What is the InChIKey of (2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol?
The InChIKey is HOHGGHARVXUSHI-ISKFKSNPSA-N. The full InChI is InChI=1S/C25H37NO3/c1-19(2)26(20(3)4)17-22(27)18-29-25-14-10-9-13-23(25)24(28-5)16-15-21-11-7-6-8-12-21/h6-14,19-20,22,24,27H,15-18H2,1-5H3/t22-,24-/m1/s1.
What are the key properties of (2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol?
(2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol has a molecular weight of 399.57 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol is sourced from PubChem (CID 73354201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).