(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol

C21H29NO4 — CID 93160858

IUPAC(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
SMILESCOCCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)Cc1ccccc1
InChIInChI=1S/C21H29NO4/c1-24-12-11-22(16-19(23)13-17-7-5-4-6-8-17)15-18-9-10-20(25-2)21(14-18)26-3/h4-10,14,19,23H,11-13,15-16H2,1-3H3/t19-/m1/s1
InChIKeyIOZPGCJRRBFSGW-LJQANCHMSA-N
MW359.47 g/mol
LogP2.76
Rot. Bonds11

About (2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol

(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol (PubChem CID 93160858) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
PubChem CID93160858
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
SMILESCOCCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)Cc1ccccc1
InChIInChI=1S/C21H29NO4/c1-24-12-11-22(16-19(23)13-17-7-5-4-6-8-17)15-18-9-10-20(25-2)21(14-18)26-3/h4-10,14,19,23H,11-13,15-16H2,1-3H3/t19-/m1/s1
InChIKeyIOZPGCJRRBFSGW-LJQANCHMSA-N
XLogP2.76
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-phenylpropan-2-ol
CID 93160830
1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 24713590
1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 46006889
(2S)-1-carbazol-9-yl-3-[2-methoxyethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]amino]propan-2-ol
CID 129454400
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860
(2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
CID 92994322
N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
CID 46064845
1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethylamino]propan-2-ol
CID 47092518
1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
CID 24713640
1-[(3,4-dimethoxyphenyl)methyl-(3-methylbutyl)amino]butan-2-ol
CID 46006960
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46006868
3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide
CID 42865089

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol?
The IUPAC name of (2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol (CID 93160858) is (2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for (2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for (2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol is COCCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)Cc1ccccc1.
What is the InChIKey of (2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol?
The InChIKey is IOZPGCJRRBFSGW-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29NO4/c1-24-12-11-22(16-19(23)13-17-7-5-4-6-8-17)15-18-9-10-20(25-2)21(14-18)26-3/h4-10,14,19,23H,11-13,15-16H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol?
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol has a molecular weight of 359.47 g/mol, XLogP of 2.76, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 93160858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).