(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol

C16H27NO3 — CID 95285904

IUPAC(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol
SMILESCOCCN(CC(C)C)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C16H27NO3/c1-14(2)11-17(9-10-19-3)12-15(18)13-20-16-7-5-4-6-8-16/h4-8,14-15,18H,9-13H2,1-3H3/t15-/m1/s1
InChIKeyVWIFMNRHKNOENN-OAHLLOKOSA-N
MW281.40 g/mol
LogP2.03
Rot. Bonds10

About (2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol

(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol (PubChem CID 95285904) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol
PubChem CID95285904
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol
SMILESCOCCN(CC(C)C)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C16H27NO3/c1-14(2)11-17(9-10-19-3)12-15(18)13-20-16-7-5-4-6-8-16/h4-8,14-15,18H,9-13H2,1-3H3/t15-/m1/s1
InChIKeyVWIFMNRHKNOENN-OAHLLOKOSA-N
XLogP2.03
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160726
(2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160404
(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93162983
(2S)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 93160526
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
(2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93162445
(2R)-1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenoxypropan-2-ol
CID 93147109
(2S)-1-[benzyl(2-methylpropyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 93161416
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55138914
1-(2-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265978
(2S)-1-(4-chlorophenoxy)-3-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol
CID 93162860

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol (CID 95285904) is (2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol is COCCN(CC(C)C)C[C@@H](O)COc1ccccc1.
What is the InChIKey of (2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is VWIFMNRHKNOENN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27NO3/c1-14(2)11-17(9-10-19-3)12-15(18)13-20-16-7-5-4-6-8-16/h4-8,14-15,18H,9-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol?
(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 95285904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).