2-[(4-ethoxyanilino)methyl]phenol

C15H17NO2 — CID 853654

IUPAC2-[(4-ethoxyanilino)methyl]phenol
SMILESCCOc1ccc(NCc2ccccc2O)cc1
InChIInChI=1S/C15H17NO2/c1-2-18-14-9-7-13(8-10-14)16-11-12-5-3-4-6-15(12)17/h3-10,16-17H,2,11H2,1H3
InChIKeyDLGWUDJVBCRQAR-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.40
Rot. Bonds5

About 2-[(4-ethoxyanilino)methyl]phenol

2-[(4-ethoxyanilino)methyl]phenol (PubChem CID 853654) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(4-ethoxyanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(4-ethoxyanilino)methyl]phenol
PubChem CID853654
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[(4-ethoxyanilino)methyl]phenol
SMILESCCOc1ccc(NCc2ccccc2O)cc1
InChIInChI=1S/C15H17NO2/c1-2-18-14-9-7-13(8-10-14)16-11-12-5-3-4-6-15(12)17/h3-10,16-17H,2,11H2,1H3
InChIKeyDLGWUDJVBCRQAR-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
4-(Benzylamino)phenol
CID 7637
Alpha-(meta-toluidino)-ortho-cresol
CID 3236648
Alpha-(para-toluidino)-ortho-cresol
CID 4114014
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
CID 44129620
3-(4-Ethoxyanilino)-1-(4-fluorophenyl)-1-propanol
CID 3427706
2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 2975850
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
CID 892164

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyanilino)methyl]phenol?
The IUPAC name of 2-[(4-ethoxyanilino)methyl]phenol (CID 853654) is 2-[(4-ethoxyanilino)methyl]phenol.
What is the SMILES notation for 2-[(4-ethoxyanilino)methyl]phenol?
The canonical SMILES for 2-[(4-ethoxyanilino)methyl]phenol is CCOc1ccc(NCc2ccccc2O)cc1.
What is the InChIKey of 2-[(4-ethoxyanilino)methyl]phenol?
The InChIKey is DLGWUDJVBCRQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-18-14-9-7-13(8-10-14)16-11-12-5-3-4-6-15(12)17/h3-10,16-17H,2,11H2,1H3.
What are the key properties of 2-[(4-ethoxyanilino)methyl]phenol?
2-[(4-ethoxyanilino)methyl]phenol has a molecular weight of 243.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyanilino)methyl]phenol is sourced from PubChem (CID 853654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).