[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol

C14H24N2O2 — CID 114127511

IUPAC[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol
SMILESCN(C)CCOCCNCc1ccc(CO)cc1
InChIInChI=1S/C14H24N2O2/c1-16(2)8-10-18-9-7-15-11-13-3-5-14(12-17)6-4-13/h3-6,15,17H,7-12H2,1-2H3
InChIKeyKYWHBDUGUNVSJI-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.85
Rot. Bonds9

About [4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol

[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol (PubChem CID 114127511) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is [4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol
PubChem CID114127511
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol
SMILESCN(C)CCOCCNCc1ccc(CO)cc1
InChIInChI=1S/C14H24N2O2/c1-16(2)8-10-18-9-7-15-11-13-3-5-14(12-17)6-4-13/h3-6,15,17H,7-12H2,1-2H3
InChIKeyKYWHBDUGUNVSJI-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethoxy]-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 103952764
[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol
CID 113365792
[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol
CID 113365785
[4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol
CID 106045460
[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997
N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 106001370
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 104931875
2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104931936
N-[(3-bromothiophen-2-yl)methyl]-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103080825
N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3576210
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103080764

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol (CID 114127511) is [4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol is CN(C)CCOCCNCc1ccc(CO)cc1.
What is the InChIKey of [4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol?
The InChIKey is KYWHBDUGUNVSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(2)8-10-18-9-7-15-11-13-3-5-14(12-17)6-4-13/h3-6,15,17H,7-12H2,1-2H3.
What are the key properties of [4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol?
[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol has a molecular weight of 252.36 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 114127511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).