2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol

C29H37NO2 — CID 67818674

IUPAC2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol
SMILESOC(CNCCCCCCOCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H37NO2/c31-29(27-18-10-5-11-19-27)24-30-21-12-1-2-13-22-32-23-20-28(25-14-6-3-7-15-25)26-16-8-4-9-17-26/h3-11,14-19,28-31H,1-2,12-13,20-24H2
InChIKeyKSXIQGPENWJORG-UHFFFAOYSA-N
MW431.62 g/mol
LogP6.11
Rot. Bonds15

About 2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol

2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol (PubChem CID 67818674) has the molecular formula C29H37NO2 and a molecular weight of 431.62 g/mol. Its IUPAC name is 2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol
PubChem CID67818674
Molecular FormulaC29H37NO2
Molecular Weight431.62 g/mol
Exact Mass431.28
IUPAC Name2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol
SMILESOC(CNCCCCCCOCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H37NO2/c31-29(27-18-10-5-11-19-27)24-30-21-12-1-2-13-22-32-23-20-28(25-14-6-3-7-15-25)26-16-8-4-9-17-26/h3-11,14-19,28-31H,1-2,12-13,20-24H2
InChIKeyKSXIQGPENWJORG-UHFFFAOYSA-N
XLogP6.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol
CID 67817207
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
1-(3-ethylphenyl)-2-[6-(4-phenylbutoxy)hexylamino]ethanol
CID 144984988
2-(2-cyclohexyloxyethylamino)-1-phenylethanol
CID 55259175
9-[(2-hydroxy-2-phenylethyl)amino]nonyl 4-phenylbutanoate
CID 23352551
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
CID 5152
(1S)-2-(2-hydroxysulfonothioyloxyethylamino)-1-phenylethanol
CID 90473582
11-[(2-hydroxy-2-phenylethyl)amino]-2-(2-phenylethyl)undecanoic acid
CID 67815162
4-[2-[12-[(2-hydroxy-2-phenylethyl)amino]dodecyl]phenyl]butanoic acid
CID 23352610
sodium;hydride;2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
CID 175593239

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol?
The IUPAC name of 2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol (CID 67818674) is 2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol.
What is the SMILES notation for 2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol?
The canonical SMILES for 2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol is OC(CNCCCCCCOCCC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol?
The InChIKey is KSXIQGPENWJORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NO2/c31-29(27-18-10-5-11-19-27)24-30-21-12-1-2-13-22-32-23-20-28(25-14-6-3-7-15-25)26-16-8-4-9-17-26/h3-11,14-19,28-31H,1-2,12-13,20-24H2.
What are the key properties of 2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol?
2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol has a molecular weight of 431.62 g/mol, XLogP of 6.11, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,3-diphenylpropoxy)hexylamino]-1-phenylethanol is sourced from PubChem (CID 67818674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).