(2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol

C28H36N2O3 — CID 18646864

IUPAC(2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OC[C@H](O)CNC(C)(C)CN(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36N2O3/c1-28(2,29-19-24(31)20-33-26-18-12-11-17-25(26)32-4)21-30(3)27(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-18,24,27,29,31H,19-21H2,1-4H3/t24-/m1/s1
InChIKeyBPSCGTMQCGFURK-XMMPIXPASA-N
MW448.61 g/mol
LogP4.52
Rot. Bonds12

About (2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol

(2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 18646864) has the molecular formula C28H36N2O3 and a molecular weight of 448.61 g/mol. Its IUPAC name is (2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID18646864
Molecular FormulaC28H36N2O3
Molecular Weight448.61 g/mol
Exact Mass448.27
IUPAC Name(2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OC[C@H](O)CNC(C)(C)CN(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36N2O3/c1-28(2,29-19-24(31)20-33-26-18-12-11-17-25(26)32-4)21-30(3)27(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-18,24,27,29,31H,19-21H2,1-4H3/t24-/m1/s1
InChIKeyBPSCGTMQCGFURK-XMMPIXPASA-N
XLogP4.52
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methylsulfanylphenoxy)propan-2-ol
CID 19823566
2-[3-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]benzonitrile
CID 19823508
N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride
CID 67865663
1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 19823513
1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol
CID 19823550
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779
1-[[1-(benzhydrylamino)-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol;butanoic acid;dihydrochloride
CID 157492758
[4-[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-2-methylpropyl]amino]-4-oxobutan-2-yl] nitrate
CID 70399450
1-(3-benzhydryloxypropylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 110194017
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755
1-(2-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965784

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol (CID 18646864) is (2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol is COc1ccccc1OC[C@H](O)CNC(C)(C)CN(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is BPSCGTMQCGFURK-XMMPIXPASA-N. The full InChI is InChI=1S/C28H36N2O3/c1-28(2,29-19-24(31)20-33-26-18-12-11-17-25(26)32-4)21-30(3)27(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-18,24,27,29,31H,19-21H2,1-4H3/t24-/m1/s1.
What are the key properties of (2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol?
(2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 448.61 g/mol, XLogP of 4.52, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 18646864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).