1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol

C26H39NO2 — CID 137476580

IUPAC1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol
SMILESCc1ccc(C(C)(C)c2ccc(OC(C)CN(CC(C)C)CC(C)O)cc2)cc1
InChIInChI=1S/C26H39NO2/c1-19(2)16-27(17-21(4)28)18-22(5)29-25-14-12-24(13-15-25)26(6,7)23-10-8-20(3)9-11-23/h8-15,19,21-22,28H,16-18H2,1-7H3
InChIKeyUNZJZLVLDRQNGC-UHFFFAOYSA-N
MW397.60 g/mol
LogP5.43
Rot. Bonds10

About 1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol

1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol (PubChem CID 137476580) has the molecular formula C26H39NO2 and a molecular weight of 397.60 g/mol. Its IUPAC name is 1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol
PubChem CID137476580
Molecular FormulaC26H39NO2
Molecular Weight397.60 g/mol
Exact Mass397.30
IUPAC Name1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol
SMILESCc1ccc(C(C)(C)c2ccc(OC(C)CN(CC(C)C)CC(C)O)cc2)cc1
InChIInChI=1S/C26H39NO2/c1-19(2)16-27(17-21(4)28)18-22(5)29-25-14-12-24(13-15-25)26(6,7)23-10-8-20(3)9-11-23/h8-15,19,21-22,28H,16-18H2,1-7H3
InChIKeyUNZJZLVLDRQNGC-UHFFFAOYSA-N
XLogP5.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol with MolForge

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Related Compounds

1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol
CID 166667960
N,N-dimethyl-2-(4-methylphenoxy)propan-1-amine
CID 89477371
1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159253549
1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol
CID 171512659
N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane
CID 156877682
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
[4-(2-phenylpropan-2-yl)phenoxy]methanediol
CID 134502712
1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene
CID 70880864
2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine
CID 10274079
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol?
The IUPAC name of 1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol (CID 137476580) is 1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol is Cc1ccc(C(C)(C)c2ccc(OC(C)CN(CC(C)C)CC(C)O)cc2)cc1.
What is the InChIKey of 1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol?
The InChIKey is UNZJZLVLDRQNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO2/c1-19(2)16-27(17-21(4)28)18-22(5)29-25-14-12-24(13-15-25)26(6,7)23-10-8-20(3)9-11-23/h8-15,19,21-22,28H,16-18H2,1-7H3.
What are the key properties of 1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol?
1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol has a molecular weight of 397.60 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol is sourced from PubChem (CID 137476580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).