4-[(4-ethoxyanilino)methyl]phenol

C15H17NO2 — CID 3271066

IUPAC4-[(4-ethoxyanilino)methyl]phenol
SMILESCCOc1ccc(NCc2ccc(O)cc2)cc1
InChIInChI=1S/C15H17NO2/c1-2-18-15-9-5-13(6-10-15)16-11-12-3-7-14(17)8-4-12/h3-10,16-17H,2,11H2,1H3
InChIKeyGTNILLCINNOVIF-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.40
Rot. Bonds5

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

4-[(4-ethoxyanilino)methyl]phenol (PubChem CID 3271066) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[(4-ethoxyanilino)methyl]phenol.

Molecular Properties

Compound Name4-[(4-ethoxyanilino)methyl]phenol
PubChem CID3271066
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[(4-ethoxyanilino)methyl]phenol
SMILESCCOc1ccc(NCc2ccc(O)cc2)cc1
InChIInChI=1S/C15H17NO2/c1-2-18-15-9-5-13(6-10-15)16-11-12-3-7-14(17)8-4-12/h3-10,16-17H,2,11H2,1H3
InChIKeyGTNILLCINNOVIF-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethylsulfanyl)-N-[(4-ethoxyphenyl)methyl]aniline
CID 43229242
1-[4-[(4-ethoxyanilino)methyl]phenyl]ethanone;sulfuryl dichloride
CID 175521393
4-ethoxy-N-[[4-[(4-ethoxyanilino)methyl]-3-fluorophenyl]methyl]aniline
CID 132991407
2-chloro-6-ethoxy-4-[(4-ethoxyanilino)methyl]phenol
CID 83455060
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide
CID 122195977
[4-[(4-hydroxyanilino)methyl]phenyl] sulfamate
CID 23508527
N-[(4-butoxyphenyl)methyl]-4-(2-ethoxyethoxy)aniline
CID 54801022
2-bromo-4-[(4-ethoxyanilino)methyl]-6-methoxyphenol
CID 29041411
4-[(4-hydroxyanilino)methyl]benzonitrile
CID 43742708
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyanilino)methyl]phenol?
The IUPAC name of 4-[(4-ethoxyanilino)methyl]phenol (CID 3271066) is 4-[(4-ethoxyanilino)methyl]phenol.
What is the SMILES notation for 4-[(4-ethoxyanilino)methyl]phenol?
The canonical SMILES for 4-[(4-ethoxyanilino)methyl]phenol is CCOc1ccc(NCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyanilino)methyl]phenol?
The InChIKey is GTNILLCINNOVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-18-15-9-5-13(6-10-15)16-11-12-3-7-14(17)8-4-12/h3-10,16-17H,2,11H2,1H3.
What are the key properties of 4-[(4-ethoxyanilino)methyl]phenol?
4-[(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 4-[(4-ethoxyanilino)methyl]phenol is sourced from PubChem (CID 3271066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).