(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol

C21H30N2O3 — CID 42511734

IUPAC(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
SMILESCOc1ccc(CN(C)C)cc1OC[C@H](O)CN(C)Cc1ccccc1
InChIInChI=1S/C21H30N2O3/c1-22(2)13-18-10-11-20(25-4)21(12-18)26-16-19(24)15-23(3)14-17-8-6-5-7-9-17/h5-12,19,24H,13-16H2,1-4H3/t19-/m1/s1
InChIKeyZDDJBNHAAUXAMU-LJQANCHMSA-N
MW358.48 g/mol
LogP2.63
Rot. Bonds10

About (2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol

(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol (PubChem CID 42511734) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
PubChem CID42511734
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
SMILESCOc1ccc(CN(C)C)cc1OC[C@H](O)CN(C)Cc1ccccc1
InChIInChI=1S/C21H30N2O3/c1-22(2)13-18-10-11-20(25-4)21(12-18)26-16-19(24)15-23(3)14-17-8-6-5-7-9-17/h5-12,19,24H,13-16H2,1-4H3/t19-/m1/s1
InChIKeyZDDJBNHAAUXAMU-LJQANCHMSA-N
XLogP2.63
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[benzyl(methyl)amino]-3-[5-[[2-(diethylamino)ethyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 51633903
(2R)-1-[benzyl(methyl)amino]-3-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 25282788
(2S)-1-[benzyl(methyl)amino]-3-[5-[(cyclobutylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 25282784
1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[(3-methylphenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 45230857
1-[benzyl(methyl)amino]-3-[5-[(cyclopropylmethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 45249548
1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 45199722
1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol
CID 132777879
1-[benzyl(methyl)amino]-3-[2-methoxy-5-[(2-phenoxyethylamino)methyl]phenoxy]propan-2-ol
CID 45242008
(2R)-1-[benzyl(methyl)amino]-3-[2-methoxy-5-[(3-methylsulfanylpropylamino)methyl]phenoxy]propan-2-ol
CID 26408580
(2S)-1-[benzyl(methyl)amino]-3-[2-methoxy-5-[(3-methylsulfanylpropylamino)methyl]phenoxy]propan-2-ol
CID 26408578
(2S)-1-[benzyl(methyl)amino]-3-[2-methoxy-5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]phenoxy]propan-2-ol
CID 26400260
1-[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 45240464

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
The IUPAC name of (2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol (CID 42511734) is (2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol is COc1ccc(CN(C)C)cc1OC[C@H](O)CN(C)Cc1ccccc1.
What is the InChIKey of (2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
The InChIKey is ZDDJBNHAAUXAMU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-22(2)13-18-10-11-20(25-4)21(12-18)26-16-19(24)15-23(3)14-17-8-6-5-7-9-17/h5-12,19,24H,13-16H2,1-4H3/t19-/m1/s1.
What are the key properties of (2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol has a molecular weight of 358.48 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol is sourced from PubChem (CID 42511734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).