4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol

C17H30N2O — CID 115493853

IUPAC4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCCN(C(C)C)C(C)C
InChIInChI=1S/C17H30N2O/c1-13(2)19(14(3)4)11-10-18-15(5)12-16-6-8-17(20)9-7-16/h6-9,13-15,18,20H,10-12H2,1-5H3
InChIKeyWTANTJAQLUSDGY-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.03
Rot. Bonds8

About 4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol

4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol (PubChem CID 115493853) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
PubChem CID115493853
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCCN(C(C)C)C(C)C
InChIInChI=1S/C17H30N2O/c1-13(2)19(14(3)4)11-10-18-15(5)12-16-6-8-17(20)9-7-16/h6-9,13-15,18,20H,10-12H2,1-5H3
InChIKeyWTANTJAQLUSDGY-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
4-[2-(3-fluoropropylamino)propyl]phenol
CID 110174731
4-[2-(decylamino)propyl]phenol
CID 115494442
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
CID 78942237
4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol
CID 115494436
4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol
CID 106245098
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
bis(4-[(2S)-2-(methylamino)propyl]phenol);sulfuric acid
CID 76968318

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol?
The IUPAC name of 4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol (CID 115493853) is 4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol?
The canonical SMILES for 4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol is CC(Cc1ccc(O)cc1)NCCN(C(C)C)C(C)C.
What is the InChIKey of 4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol?
The InChIKey is WTANTJAQLUSDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(2)19(14(3)4)11-10-18-15(5)12-16-6-8-17(20)9-7-16/h6-9,13-15,18,20H,10-12H2,1-5H3.
What are the key properties of 4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol?
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol has a molecular weight of 278.44 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol is sourced from PubChem (CID 115493853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).