4-[2-(3,5-dimethylanilino)ethyl]phenol

C16H19NO — CID 170698256

IUPAC4-[2-(3,5-dimethylanilino)ethyl]phenol
SMILESCc1cc(C)cc(NCCc2ccc(O)cc2)c1
InChIInChI=1S/C16H19NO/c1-12-9-13(2)11-15(10-12)17-8-7-14-3-5-16(18)6-4-14/h3-6,9-11,17-18H,7-8H2,1-2H3
InChIKeyMZZRXWZJVCLBDO-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.66
Rot. Bonds4

About 4-[2-(3,5-dimethylanilino)ethyl]phenol

4-[2-(3,5-dimethylanilino)ethyl]phenol (PubChem CID 170698256) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(3,5-dimethylanilino)ethyl]phenol
PubChem CID170698256
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-[2-(3,5-dimethylanilino)ethyl]phenol
SMILESCc1cc(C)cc(NCCc2ccc(O)cc2)c1
InChIInChI=1S/C16H19NO/c1-12-9-13(2)11-15(10-12)17-8-7-14-3-5-16(18)6-4-14/h3-6,9-11,17-18H,7-8H2,1-2H3
InChIKeyMZZRXWZJVCLBDO-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(3,5-dimethylanilino)propyl]phenol
CID 83457314
N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline
CID 139263974
2-[4-[2-(3,5-dimethylanilino)ethyl]phenoxy]-2-methylpropanoic acid
CID 67811284
3-bromo-5-[2-(4-hydroxyphenyl)ethylamino]benzonitrile
CID 102815529
4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol
CID 115682875
4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol
CID 103590041
(Z)-2-cyano-3-(3,5-dimethylanilino)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 108829346
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
2-bromo-4-[2-(4-hydroxyphenyl)ethylamino]benzenecarbothioamide
CID 107277438
2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide
CID 62303779
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341
4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethylanilino)ethyl]phenol?
The IUPAC name of 4-[2-(3,5-dimethylanilino)ethyl]phenol (CID 170698256) is 4-[2-(3,5-dimethylanilino)ethyl]phenol.
What is the SMILES notation for 4-[2-(3,5-dimethylanilino)ethyl]phenol?
The canonical SMILES for 4-[2-(3,5-dimethylanilino)ethyl]phenol is Cc1cc(C)cc(NCCc2ccc(O)cc2)c1.
What is the InChIKey of 4-[2-(3,5-dimethylanilino)ethyl]phenol?
The InChIKey is MZZRXWZJVCLBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-9-13(2)11-15(10-12)17-8-7-14-3-5-16(18)6-4-14/h3-6,9-11,17-18H,7-8H2,1-2H3.
What are the key properties of 4-[2-(3,5-dimethylanilino)ethyl]phenol?
4-[2-(3,5-dimethylanilino)ethyl]phenol has a molecular weight of 241.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylanilino)ethyl]phenol is sourced from PubChem (CID 170698256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).