2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol

C14H24N2O — CID 82980424

IUPAC2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol
SMILESCCC(c1ccccc1O)N(C)CCN(C)C
InChIInChI=1S/C14H24N2O/c1-5-13(16(4)11-10-15(2)3)12-8-6-7-9-14(12)17/h6-9,13,17H,5,10-11H2,1-4H3
InChIKeyLMRNSXRIEZZEPQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.34
Rot. Bonds6

About 2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol

2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol (PubChem CID 82980424) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol
PubChem CID82980424
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol
SMILESCCC(c1ccccc1O)N(C)CCN(C)C
InChIInChI=1S/C14H24N2O/c1-5-13(16(4)11-10-15(2)3)12-8-6-7-9-14(12)17/h6-9,13,17H,5,10-11H2,1-4H3
InChIKeyLMRNSXRIEZZEPQ-UHFFFAOYSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.34
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-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol
CID 82982904
2-[1-(N,4-dimethylanilino)propyl]phenol
CID 82978560
2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol
CID 82978176
2-[1-[cyclohexyl(methyl)amino]propyl]phenol
CID 82974252
2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol
CID 82978164
2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol
CID 82983229
2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol
CID 82975221
2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
CID 69412499
2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid
CID 65056725
2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol
CID 101104317
2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol
CID 63700124
2-[1-[cyclohexyl(ethyl)amino]propyl]phenol
CID 82974115

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol (CID 82980424) is 2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol is CCC(c1ccccc1O)N(C)CCN(C)C.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol?
The InChIKey is LMRNSXRIEZZEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-13(16(4)11-10-15(2)3)12-8-6-7-9-14(12)17/h6-9,13,17H,5,10-11H2,1-4H3.
What are the key properties of 2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol?
2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol has a molecular weight of 236.36 g/mol, XLogP of 2.34, 6 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-methylamino]propyl]phenol is sourced from PubChem (CID 82980424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).