1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol

C31H42N2O3 — CID 19823550

IUPAC1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol
SMILESCCCOc1ccccc1OCC(O)CNC(C)(C)CN(C)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H42N2O3/c1-5-20-35-29-18-12-13-19-30(29)36-23-27(34)21-32-31(2,3)24-33(4)22-28(25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-19,27-28,32,34H,5,20-24H2,1-4H3
InChIKeyQLOIWHKVNCJOFL-UHFFFAOYSA-N
MW490.69 g/mol
LogP5.35
Rot. Bonds15

About 1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol

1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol (PubChem CID 19823550) has the molecular formula C31H42N2O3 and a molecular weight of 490.69 g/mol. Its IUPAC name is 1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol
PubChem CID19823550
Molecular FormulaC31H42N2O3
Molecular Weight490.69 g/mol
Exact Mass490.32
IUPAC Name1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol
SMILESCCCOc1ccccc1OCC(O)CNC(C)(C)CN(C)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H42N2O3/c1-5-20-35-29-18-12-13-19-30(29)36-23-27(34)21-32-31(2,3)24-33(4)22-28(25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-19,27-28,32,34H,5,20-24H2,1-4H3
InChIKeyQLOIWHKVNCJOFL-UHFFFAOYSA-N
XLogP5.35
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)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
N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride
CID 67865663
1-[[1-(benzhydrylamino)-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol;butanoic acid;dihydrochloride
CID 157492758
1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 19823513
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779
1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]ethyl nitrate
CID 13376596
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol
CID 21312383

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol (CID 19823550) is 1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol is CCCOc1ccccc1OCC(O)CNC(C)(C)CN(C)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol?
The InChIKey is QLOIWHKVNCJOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2O3/c1-5-20-35-29-18-12-13-19-30(29)36-23-27(34)21-32-31(2,3)24-33(4)22-28(25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-19,27-28,32,34H,5,20-24H2,1-4H3.
What are the key properties of 1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol?
1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol has a molecular weight of 490.69 g/mol, XLogP of 5.35, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2,2-diphenylethyl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-propoxyphenoxy)propan-2-ol is sourced from PubChem (CID 19823550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).