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

C20H27NO3 — CID 93162983

IUPAC(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
SMILESCOCCN(Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C20H27NO3/c1-17-7-6-8-18(13-17)14-21(11-12-23-2)15-19(22)16-24-20-9-4-3-5-10-20/h3-10,13,19,22H,11-12,14-16H2,1-2H3/t19-/m1/s1
InChIKeyANKCVOSKVFQGEN-LJQANCHMSA-N
MW329.44 g/mol
LogP2.88
Rot. Bonds10

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

(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol (PubChem CID 93162983) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
PubChem CID93162983
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
SMILESCOCCN(Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C20H27NO3/c1-17-7-6-8-18(13-17)14-21(11-12-23-2)15-19(22)16-24-20-9-4-3-5-10-20/h3-10,13,19,22H,11-12,14-16H2,1-2H3/t19-/m1/s1
InChIKeyANKCVOSKVFQGEN-LJQANCHMSA-N
XLogP2.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93163124
1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717291
(2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160404
1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
CID 2916434
(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160726
(2S)-1-(4-chlorophenoxy)-3-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol
CID 93162860
(2S)-1-(4-methoxyphenoxy)-3-[3-methylbutyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 93163150
(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 95285904
1-[3-methoxypropyl-[(3-methylphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24714136
1-[butan-2-yl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717307
1-[2-methoxyethyl-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 42843163
(2S)-1-[(3-methylphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 93163081

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol (CID 93162983) is (2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol is COCCN(Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1.
What is the InChIKey of (2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol?
The InChIKey is ANKCVOSKVFQGEN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27NO3/c1-17-7-6-8-18(13-17)14-21(11-12-23-2)15-19(22)16-24-20-9-4-3-5-10-20/h3-10,13,19,22H,11-12,14-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol?
(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 2.88, 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-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 93162983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).