3-[(2-propoxyanilino)methyl]phenol

C16H19NO2 — CID 43682286

IUPAC3-[(2-propoxyanilino)methyl]phenol
SMILESCCCOc1ccccc1NCc1cccc(O)c1
InChIInChI=1S/C16H19NO2/c1-2-10-19-16-9-4-3-8-15(16)17-12-13-6-5-7-14(18)11-13/h3-9,11,17-18H,2,10,12H2,1H3
InChIKeyRBQLPTQUZYLUFC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.79
Rot. Bonds6

About 3-[(2-propoxyanilino)methyl]phenol

3-[(2-propoxyanilino)methyl]phenol (PubChem CID 43682286) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[(2-propoxyanilino)methyl]phenol.

Molecular Properties

Compound Name3-[(2-propoxyanilino)methyl]phenol
PubChem CID43682286
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[(2-propoxyanilino)methyl]phenol
SMILESCCCOc1ccccc1NCc1cccc(O)c1
InChIInChI=1S/C16H19NO2/c1-2-10-19-16-9-4-3-8-15(16)17-12-13-6-5-7-14(18)11-13/h3-9,11,17-18H,2,10,12H2,1H3
InChIKeyRBQLPTQUZYLUFC-UHFFFAOYSA-N
XLogP3.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-propoxyanilino)methyl]benzene-1,3-diol
CID 43682277
2-(3-phenylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54801278
2-butoxy-N-[(3-butoxyphenyl)methyl]aniline
CID 54801697
3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol
CID 22026519
2-(2-methylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54800051
N-[(3-bromo-4-fluorophenyl)methyl]-2-propoxyaniline
CID 43682303
3-[(2-ethoxy-4-methylanilino)methyl]phenol
CID 54864734
2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline
CID 54801770
3-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865545
3-[(2-ethoxyanilino)methyl]benzoic acid
CID 82096099
2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54801329
N-(2-ethoxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399878

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propoxyanilino)methyl]phenol?
The IUPAC name of 3-[(2-propoxyanilino)methyl]phenol (CID 43682286) is 3-[(2-propoxyanilino)methyl]phenol.
What is the SMILES notation for 3-[(2-propoxyanilino)methyl]phenol?
The canonical SMILES for 3-[(2-propoxyanilino)methyl]phenol is CCCOc1ccccc1NCc1cccc(O)c1.
What is the InChIKey of 3-[(2-propoxyanilino)methyl]phenol?
The InChIKey is RBQLPTQUZYLUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-10-19-16-9-4-3-8-15(16)17-12-13-6-5-7-14(18)11-13/h3-9,11,17-18H,2,10,12H2,1H3.
What are the key properties of 3-[(2-propoxyanilino)methyl]phenol?
3-[(2-propoxyanilino)methyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propoxyanilino)methyl]phenol is sourced from PubChem (CID 43682286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).