2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol

C15H26N2O — CID 82978176

IUPAC2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol
SMILESCCCN(CCN(C)C)C(C)c1ccccc1O
InChIInChI=1S/C15H26N2O/c1-5-10-17(12-11-16(3)4)13(2)14-8-6-7-9-15(14)18/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyJLXVOEKMVXAKPR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.73
Rot. Bonds7

About 2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol

2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol (PubChem CID 82978176) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol
PubChem CID82978176
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol
SMILESCCCN(CCN(C)C)C(C)c1ccccc1O
InChIInChI=1S/C15H26N2O/c1-5-10-17(12-11-16(3)4)13(2)14-8-6-7-9-15(14)18/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyJLXVOEKMVXAKPR-UHFFFAOYSA-N
XLogP2.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
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-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
2-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]phenol
CID 79715840
2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol
CID 82980424
2-[(1R)-1-[methyl(propan-2-yl)amino]ethyl]phenol
CID 101104323
2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol
CID 82979119
2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide
CID 82980145
2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol
CID 174369266
2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
CID 106625108
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
CID 65063433
N,N-diethyl-2-[1-(2-hydroxyphenyl)ethyl-methylamino]acetamide
CID 82723076
2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine
CID 62568173
2-[1-[ethyl(propyl)amino]ethyl]benzene-1,3-diol
CID 107711720

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol (CID 82978176) is 2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol is CCCN(CCN(C)C)C(C)c1ccccc1O.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol?
The InChIKey is JLXVOEKMVXAKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-10-17(12-11-16(3)4)13(2)14-8-6-7-9-15(14)18/h6-9,13,18H,5,10-12H2,1-4H3.
What are the key properties of 2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol?
2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol has a molecular weight of 250.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol is sourced from PubChem (CID 82978176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).