4-[1-[3-(methoxymethyl)anilino]propyl]phenol

C17H21NO2 — CID 43672141

IUPAC4-[1-[3-(methoxymethyl)anilino]propyl]phenol
SMILESCCC(Nc1cccc(COC)c1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-3-17(14-7-9-16(19)10-8-14)18-15-6-4-5-13(11-15)12-20-2/h4-11,17-19H,3,12H2,1-2H3
InChIKeySSXILJXZCPAZFZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.10
Rot. Bonds6

About 4-[1-[3-(methoxymethyl)anilino]propyl]phenol

4-[1-[3-(methoxymethyl)anilino]propyl]phenol (PubChem CID 43672141) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[1-[3-(methoxymethyl)anilino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[3-(methoxymethyl)anilino]propyl]phenol
PubChem CID43672141
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[1-[3-(methoxymethyl)anilino]propyl]phenol
SMILESCCC(Nc1cccc(COC)c1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-3-17(14-7-9-16(19)10-8-14)18-15-6-4-5-13(11-15)12-20-2/h4-11,17-19H,3,12H2,1-2H3
InChIKeySSXILJXZCPAZFZ-UHFFFAOYSA-N
XLogP4.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-[3-(methoxymethyl)anilino]propyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline
CID 43672248
3-(methoxymethyl)-N-(1-phenylpropyl)aniline
CID 43672251
N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline
CID 43672253
3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43778830
3-[1-(4-hydroxyphenyl)propylamino]benzamide
CID 43202878
[3-[1-(4-methylphenyl)propylamino]phenyl]methanol
CID 43715171
3-[1-(4-methylphenyl)propylamino]phenol
CID 43207013
2-[3-(methoxymethyl)anilino]butanoic acid
CID 64668978
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
4-(1-phenylpropylamino)phenol
CID 43742837
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
CID 106931972

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(methoxymethyl)anilino]propyl]phenol?
The IUPAC name of 4-[1-[3-(methoxymethyl)anilino]propyl]phenol (CID 43672141) is 4-[1-[3-(methoxymethyl)anilino]propyl]phenol.
What is the SMILES notation for 4-[1-[3-(methoxymethyl)anilino]propyl]phenol?
The canonical SMILES for 4-[1-[3-(methoxymethyl)anilino]propyl]phenol is CCC(Nc1cccc(COC)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[3-(methoxymethyl)anilino]propyl]phenol?
The InChIKey is SSXILJXZCPAZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-17(14-7-9-16(19)10-8-14)18-15-6-4-5-13(11-15)12-20-2/h4-11,17-19H,3,12H2,1-2H3.
What are the key properties of 4-[1-[3-(methoxymethyl)anilino]propyl]phenol?
4-[1-[3-(methoxymethyl)anilino]propyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(methoxymethyl)anilino]propyl]phenol is sourced from PubChem (CID 43672141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).