4-[(N-ethyl-3-methylanilino)methyl]phenol

C16H19NO — CID 82973646

IUPAC4-[(N-ethyl-3-methylanilino)methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)c1cccc(C)c1
InChIInChI=1S/C16H19NO/c1-3-17(15-6-4-5-13(2)11-15)12-14-7-9-16(18)10-8-14/h4-11,18H,3,12H2,1-2H3
InChIKeyYSSMZKICKWDQDH-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.73
Rot. Bonds4

About 4-[(N-ethyl-3-methylanilino)methyl]phenol

4-[(N-ethyl-3-methylanilino)methyl]phenol (PubChem CID 82973646) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(N-ethyl-3-methylanilino)methyl]phenol.

Molecular Properties

Compound Name4-[(N-ethyl-3-methylanilino)methyl]phenol
PubChem CID82973646
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-[(N-ethyl-3-methylanilino)methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)c1cccc(C)c1
InChIInChI=1S/C16H19NO/c1-3-17(15-6-4-5-13(2)11-15)12-14-7-9-16(18)10-8-14/h4-11,18H,3,12H2,1-2H3
InChIKeyYSSMZKICKWDQDH-UHFFFAOYSA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.73
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]-2,6-dimethylphenol
CID 82981488
5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol
CID 82981487
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol
CID 175433154
acetonitrile;N-benzyl-N-ethyl-3-methylaniline;N,3-dimethylaniline
CID 158779403
N-ethyl-5-[(N-ethyl-3-methylanilino)methyl]pyridin-2-amine
CID 62182436
2-[(N-ethyl-3-methylanilino)methyl]-6-methylpyridin-3-ol
CID 82981868
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
3-aminobenzenesulfonic acid;N-benzyl-N-ethyl-3-methylaniline
CID 88811425
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851

Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethyl-3-methylanilino)methyl]phenol?
The IUPAC name of 4-[(N-ethyl-3-methylanilino)methyl]phenol (CID 82973646) is 4-[(N-ethyl-3-methylanilino)methyl]phenol.
What is the SMILES notation for 4-[(N-ethyl-3-methylanilino)methyl]phenol?
The canonical SMILES for 4-[(N-ethyl-3-methylanilino)methyl]phenol is CCN(Cc1ccc(O)cc1)c1cccc(C)c1.
What is the InChIKey of 4-[(N-ethyl-3-methylanilino)methyl]phenol?
The InChIKey is YSSMZKICKWDQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-17(15-6-4-5-13(2)11-15)12-14-7-9-16(18)10-8-14/h4-11,18H,3,12H2,1-2H3.
What are the key properties of 4-[(N-ethyl-3-methylanilino)methyl]phenol?
4-[(N-ethyl-3-methylanilino)methyl]phenol has a molecular weight of 241.33 g/mol, XLogP of 3.73, 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]phenol is sourced from PubChem (CID 82973646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).