4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol

C18H23NO — CID 82981488

IUPAC4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
SMILESCCN(Cc1cc(C)c(O)c(C)c1)c1cccc(C)c1
InChIInChI=1S/C18H23NO/c1-5-19(17-8-6-7-13(2)9-17)12-16-10-14(3)18(20)15(4)11-16/h6-11,20H,5,12H2,1-4H3
InChIKeyAEQUDSCOPMPWGU-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.34
Rot. Bonds4

About 4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol

4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol (PubChem CID 82981488) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
PubChem CID82981488
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
SMILESCCN(Cc1cc(C)c(O)c(C)c1)c1cccc(C)c1
InChIInChI=1S/C18H23NO/c1-5-19(17-8-6-7-13(2)9-17)12-16-10-14(3)18(20)15(4)11-16/h6-11,20H,5,12H2,1-4H3
InChIKeyAEQUDSCOPMPWGU-UHFFFAOYSA-N
XLogP4.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol
CID 82981487
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
4-[(N-butylanilino)methyl]-2,6-dimethylphenol
CID 82965621
3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
CID 82131996
2-[(N-ethyl-3-methylanilino)methyl]-6-methylpyridin-3-ol
CID 82981868
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851
2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid
CID 65059194
3-(N-ethyl-3-methylanilino)propanethioamide
CID 39160770

Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol (CID 82981488) is 4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol is CCN(Cc1cc(C)c(O)c(C)c1)c1cccc(C)c1.
What is the InChIKey of 4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol?
The InChIKey is AEQUDSCOPMPWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-19(17-8-6-7-13(2)9-17)12-16-10-14(3)18(20)15(4)11-16/h6-11,20H,5,12H2,1-4H3.
What are the key properties of 4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol?
4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol has a molecular weight of 269.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 82981488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).