1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol

C34H40N2O3 — CID 19823513

IUPAC1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol
SMILESCN(CC(C)(C)NCC(O)COc1ccc(OCc2ccccc2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H40N2O3/c1-34(2,26-36(3)33(28-15-9-5-10-16-28)29-17-11-6-12-18-29)35-23-30(37)25-39-32-21-19-31(20-22-32)38-24-27-13-7-4-8-14-27/h4-22,30,33,35,37H,23-26H2,1-3H3
InChIKeySDQGDUMNJKPXBE-UHFFFAOYSA-N
MW524.71 g/mol
LogP6.09
Rot. Bonds14

About 1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol

1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol (PubChem CID 19823513) has the molecular formula C34H40N2O3 and a molecular weight of 524.71 g/mol. Its IUPAC name is 1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol
PubChem CID19823513
Molecular FormulaC34H40N2O3
Molecular Weight524.71 g/mol
Exact Mass524.30
IUPAC Name1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol
SMILESCN(CC(C)(C)NCC(O)COc1ccc(OCc2ccccc2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H40N2O3/c1-34(2,26-36(3)33(28-15-9-5-10-16-28)29-17-11-6-12-18-29)35-23-30(37)25-39-32-21-19-31(20-22-32)38-24-27-13-7-4-8-14-27/h4-22,30,33,35,37H,23-26H2,1-3H3
InChIKeySDQGDUMNJKPXBE-UHFFFAOYSA-N
XLogP6.09
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol with MolForge

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Related Compounds

(2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 18646864
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
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol
CID 12855748
1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol
CID 113253719
(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614
2-[2-(dimethylamino)-2-methylpropoxy]-1-(4-phenylmethoxyphenyl)ethanol;hydrochloride
CID 3076603
1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol
CID 19823550
1-(4-benzylphenoxy)-3-(methylamino)propan-2-ol
CID 62274722
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol (CID 19823513) is 1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol is CN(CC(C)(C)NCC(O)COc1ccc(OCc2ccccc2)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol?
The InChIKey is SDQGDUMNJKPXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O3/c1-34(2,26-36(3)33(28-15-9-5-10-16-28)29-17-11-6-12-18-29)35-23-30(37)25-39-32-21-19-31(20-22-32)38-24-27-13-7-4-8-14-27/h4-22,30,33,35,37H,23-26H2,1-3H3.
What are the key properties of 1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol?
1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol has a molecular weight of 524.71 g/mol, XLogP of 6.09, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol is sourced from PubChem (CID 19823513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).