2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol

C25H37NO2 — CID 22735213

IUPAC2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol
SMILESCC(C)OCc1ccc(O)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1
InChIInChI=1S/C25H37NO2/c1-18(2)26(19(3)4)15-14-23(22-10-8-7-9-11-22)24-16-21(12-13-25(24)27)17-28-20(5)6/h7-13,16,18-20,23,27H,14-15,17H2,1-6H3
InChIKeyZXOAYKHGVAAUQX-UHFFFAOYSA-N
MW383.58 g/mol
LogP5.96
Rot. Bonds10

About 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol

2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol (PubChem CID 22735213) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol.

Molecular Properties

Compound Name2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol
PubChem CID22735213
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC Name2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol
SMILESCC(C)OCc1ccc(O)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1
InChIInChI=1S/C25H37NO2/c1-18(2)26(19(3)4)15-14-23(22-10-8-7-9-11-22)24-16-21(12-13-25(24)27)17-28-20(5)6/h7-13,16,18-20,23,27H,14-15,17H2,1-6H3
InChIKeyZXOAYKHGVAAUQX-UHFFFAOYSA-N
XLogP5.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol
CID 22677023
4-[2-[di(propan-2-yl)amino]ethyl]-2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]phenol;hydrochloride
CID 18357394
[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]methyl 2-hydroxy-2-phenylacetate
CID 69343214
4-[[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]methoxy]-2-hydroxy-4-oxobutanoic acid
CID 118107967
3-[3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]propanenitrile
CID 18357318
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol;2-[(1R)-3-[[(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
CID 11468528
(2R)-2-acetyloxy-2-phenylacetic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol
CID 86680237
1-phenylethyl 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxybenzoate
CID 78147201
[3-[5-[di(propan-2-yl)amino]-1-phenylpentyl]-4-hydroxyphenyl]methyl benzoate
CID 151257385
lithium;alumane;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;hydride;methyl 3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxybenzoate
CID 159737398
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;(E)-3-formyloxyprop-2-enoic acid
CID 157342055
(3R)-2,3-dihydroxybutanedioic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 91809622

Frequently Asked Questions

What is the IUPAC name of 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol?
The IUPAC name of 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol (CID 22735213) is 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol.
What is the SMILES notation for 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol?
The canonical SMILES for 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol is CC(C)OCc1ccc(O)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1.
What is the InChIKey of 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol?
The InChIKey is ZXOAYKHGVAAUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO2/c1-18(2)26(19(3)4)15-14-23(22-10-8-7-9-11-22)24-16-21(12-13-25(24)27)17-28-20(5)6/h7-13,16,18-20,23,27H,14-15,17H2,1-6H3.
What are the key properties of 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol?
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol has a molecular weight of 383.58 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol is sourced from PubChem (CID 22735213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).