3-[1-(N,4-dimethylanilino)ethyl]phenol

C16H19NO — CID 82978141

IUPAC3-[1-(N,4-dimethylanilino)ethyl]phenol
SMILESCc1ccc(N(C)C(C)c2cccc(O)c2)cc1
InChIInChI=1S/C16H19NO/c1-12-7-9-15(10-8-12)17(3)13(2)14-5-4-6-16(18)11-14/h4-11,13,18H,1-3H3
InChIKeyLXNCPDRHUCIAJI-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.90
Rot. Bonds3

About 3-[1-(N,4-dimethylanilino)ethyl]phenol

3-[1-(N,4-dimethylanilino)ethyl]phenol (PubChem CID 82978141) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[1-(N,4-dimethylanilino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(N,4-dimethylanilino)ethyl]phenol
PubChem CID82978141
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-[1-(N,4-dimethylanilino)ethyl]phenol
SMILESCc1ccc(N(C)C(C)c2cccc(O)c2)cc1
InChIInChI=1S/C16H19NO/c1-12-7-9-15(10-8-12)17(3)13(2)14-5-4-6-16(18)11-14/h4-11,13,18H,1-3H3
InChIKeyLXNCPDRHUCIAJI-UHFFFAOYSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol
CID 107707977
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567
2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide
CID 71859784
3-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130820529
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
4-[(1S)-1-aminoethyl]-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63369064
ethane;3-(N-(4-methylphenyl)anilino)phenol
CID 144899078
3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
CID 103734415
4-[1-(3-aminophenyl)ethyl-methylamino]benzonitrile
CID 60869632
2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol
CID 82978827
3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol
CID 70853706

Frequently Asked Questions

What is the IUPAC name of 3-[1-(N,4-dimethylanilino)ethyl]phenol?
The IUPAC name of 3-[1-(N,4-dimethylanilino)ethyl]phenol (CID 82978141) is 3-[1-(N,4-dimethylanilino)ethyl]phenol.
What is the SMILES notation for 3-[1-(N,4-dimethylanilino)ethyl]phenol?
The canonical SMILES for 3-[1-(N,4-dimethylanilino)ethyl]phenol is Cc1ccc(N(C)C(C)c2cccc(O)c2)cc1.
What is the InChIKey of 3-[1-(N,4-dimethylanilino)ethyl]phenol?
The InChIKey is LXNCPDRHUCIAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-7-9-15(10-8-12)17(3)13(2)14-5-4-6-16(18)11-14/h4-11,13,18H,1-3H3.
What are the key properties of 3-[1-(N,4-dimethylanilino)ethyl]phenol?
3-[1-(N,4-dimethylanilino)ethyl]phenol has a molecular weight of 241.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(N,4-dimethylanilino)ethyl]phenol is sourced from PubChem (CID 82978141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).