2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol

C16H28N2O — CID 43191146

IUPAC2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol
SMILESCC(NCCN(C(C)C)C(C)C)c1ccccc1O
InChIInChI=1S/C16H28N2O/c1-12(2)18(13(3)4)11-10-17-14(5)15-8-6-7-9-16(15)19/h6-9,12-14,17,19H,10-11H2,1-5H3
InChIKeyXFSPRVBFWHTBBZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.16
Rot. Bonds7

About 2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol

2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol (PubChem CID 43191146) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol
PubChem CID43191146
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol
SMILESCC(NCCN(C(C)C)C(C)C)c1ccccc1O
InChIInChI=1S/C16H28N2O/c1-12(2)18(13(3)4)11-10-17-14(5)15-8-6-7-9-16(15)19/h6-9,12-14,17,19H,10-11H2,1-5H3
InChIKeyXFSPRVBFWHTBBZ-UHFFFAOYSA-N
XLogP3.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(diethylamino)ethylamino]ethyl]phenol
CID 43194012
2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097
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CID 63226241
2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol
CID 55097894
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride
CID 19743115
3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116843
4-[1-(2-hydroxyphenyl)ethylamino]butanamide
CID 60863382
N-[1-(4-methylphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43191140
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
N-[1-(2-ethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097849
2-[1-(2-butoxyethylamino)ethyl]phenol
CID 61171435
2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol
CID 63241920

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol?
The IUPAC name of 2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol (CID 43191146) is 2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol is CC(NCCN(C(C)C)C(C)C)c1ccccc1O.
What is the InChIKey of 2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol?
The InChIKey is XFSPRVBFWHTBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)18(13(3)4)11-10-17-14(5)15-8-6-7-9-16(15)19/h6-9,12-14,17,19H,10-11H2,1-5H3.
What are the key properties of 2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol?
2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol has a molecular weight of 264.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol is sourced from PubChem (CID 43191146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).