3-[(2-ethoxy-4-methylanilino)methyl]phenol

C16H19NO2 — CID 54864734

IUPAC3-[(2-ethoxy-4-methylanilino)methyl]phenol
SMILESCCOc1cc(C)ccc1NCc1cccc(O)c1
InChIInChI=1S/C16H19NO2/c1-3-19-16-9-12(2)7-8-15(16)17-11-13-5-4-6-14(18)10-13/h4-10,17-18H,3,11H2,1-2H3
InChIKeyRDISDGJHUNQARR-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.71
Rot. Bonds5

About 3-[(2-ethoxy-4-methylanilino)methyl]phenol

3-[(2-ethoxy-4-methylanilino)methyl]phenol (PubChem CID 54864734) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[(2-ethoxy-4-methylanilino)methyl]phenol.

Molecular Properties

Compound Name3-[(2-ethoxy-4-methylanilino)methyl]phenol
PubChem CID54864734
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[(2-ethoxy-4-methylanilino)methyl]phenol
SMILESCCOc1cc(C)ccc1NCc1cccc(O)c1
InChIInChI=1S/C16H19NO2/c1-3-19-16-9-12(2)7-8-15(16)17-11-13-5-4-6-14(18)10-13/h4-10,17-18H,3,11H2,1-2H3
InChIKeyRDISDGJHUNQARR-UHFFFAOYSA-N
XLogP3.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865545
2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline
CID 54864631
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline
CID 106528416
N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline
CID 105401396
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756640
3-[(2-propoxyanilino)methyl]phenol
CID 43682286
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
3-[[4-fluoro-2-[(3-methylphenyl)methylamino]anilino]methyl]phenol
CID 118500241
N-benzyl-4-[4-(benzylamino)-3-ethoxyphenyl]-2-ethoxyaniline
CID 71722373

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-4-methylanilino)methyl]phenol?
The IUPAC name of 3-[(2-ethoxy-4-methylanilino)methyl]phenol (CID 54864734) is 3-[(2-ethoxy-4-methylanilino)methyl]phenol.
What is the SMILES notation for 3-[(2-ethoxy-4-methylanilino)methyl]phenol?
The canonical SMILES for 3-[(2-ethoxy-4-methylanilino)methyl]phenol is CCOc1cc(C)ccc1NCc1cccc(O)c1.
What is the InChIKey of 3-[(2-ethoxy-4-methylanilino)methyl]phenol?
The InChIKey is RDISDGJHUNQARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-19-16-9-12(2)7-8-15(16)17-11-13-5-4-6-14(18)10-13/h4-10,17-18H,3,11H2,1-2H3.
What are the key properties of 3-[(2-ethoxy-4-methylanilino)methyl]phenol?
3-[(2-ethoxy-4-methylanilino)methyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-4-methylanilino)methyl]phenol is sourced from PubChem (CID 54864734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).