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

C23H33NO — CID 22677023

IUPAC2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol
SMILESCCc1ccc(O)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1
InChIInChI=1S/C23H33NO/c1-6-19-12-13-23(25)22(16-19)21(20-10-8-7-9-11-20)14-15-24(17(2)3)18(4)5/h7-13,16-18,21,25H,6,14-15H2,1-5H3
InChIKeySRQMMEXZKKLKPL-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.60
Rot. Bonds8

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

2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol (PubChem CID 22677023) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol.

Molecular Properties

Compound Name2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol
PubChem CID22677023
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol
SMILESCCc1ccc(O)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1
InChIInChI=1S/C23H33NO/c1-6-19-12-13-23(25)22(16-19)21(20-10-8-7-9-11-20)14-15-24(17(2)3)18(4)5/h7-13,16-18,21,25H,6,14-15H2,1-5H3
InChIKeySRQMMEXZKKLKPL-UHFFFAOYSA-N
XLogP5.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[di(propan-2-yl)amino]ethyl]-2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]phenol;hydrochloride
CID 18357394
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol
CID 22735213
3-[3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]propanenitrile
CID 18357318
[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]methyl 2-hydroxy-2-phenylacetate
CID 69343214
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
(3R)-3-(5-ethyl-2-phenylmethoxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 142644338
1-phenylethyl 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxybenzoate
CID 78147201
4-[[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]methoxy]-2-hydroxy-4-oxobutanoic acid
CID 118107967
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
(3R)-2,3-dihydroxybutanedioic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 91809622
4-azido-2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]phenol;hydrochloride
CID 18357406
(2R)-2-acetyloxy-2-phenylacetic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol
CID 86680237

Frequently Asked Questions

What is the IUPAC name of 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol?
The IUPAC name of 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol (CID 22677023) is 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol.
What is the SMILES notation for 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol?
The canonical SMILES for 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol is CCc1ccc(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-ethylphenol?
The InChIKey is SRQMMEXZKKLKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-6-19-12-13-23(25)22(16-19)21(20-10-8-7-9-11-20)14-15-24(17(2)3)18(4)5/h7-13,16-18,21,25H,6,14-15H2,1-5H3.
What are the key properties of 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol?
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol has a molecular weight of 339.52 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol is sourced from PubChem (CID 22677023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).