3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol

C17H22N2O — CID 43205609

IUPAC3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol
SMILESCC(NCc1ccc(N(C)C)cc1)c1cccc(O)c1
InChIInChI=1S/C17H22N2O/c1-13(15-5-4-6-17(20)11-15)18-12-14-7-9-16(10-8-14)19(2)3/h4-11,13,18,20H,12H2,1-3H3
InChIKeyZYQGQHITRZWTFO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.31
Rot. Bonds5

About 3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol

3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol (PubChem CID 43205609) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol
PubChem CID43205609
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol
SMILESCC(NCc1ccc(N(C)C)cc1)c1cccc(O)c1
InChIInChI=1S/C17H22N2O/c1-13(15-5-4-6-17(20)11-15)18-12-14-7-9-16(10-8-14)19(2)3/h4-11,13,18,20H,12H2,1-3H3
InChIKeyZYQGQHITRZWTFO-UHFFFAOYSA-N
XLogP3.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28682596
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol
CID 79978926
4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide
CID 43791628
3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol
CID 60790186
4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]phenol
CID 81381238
2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol
CID 43748484
3-[1-(isoquinolin-6-ylmethylamino)ethyl]phenol
CID 107037984
3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol
CID 43203138
3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid
CID 83955823
4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
CID 78942237
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol?
The IUPAC name of 3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol (CID 43205609) is 3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol is CC(NCc1ccc(N(C)C)cc1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol?
The InChIKey is ZYQGQHITRZWTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(15-5-4-6-17(20)11-15)18-12-14-7-9-16(10-8-14)19(2)3/h4-11,13,18,20H,12H2,1-3H3.
What are the key properties of 3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol?
3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol has a molecular weight of 270.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol is sourced from PubChem (CID 43205609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).