N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline

C22H29NO3 — CID 54802930

IUPACN-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline
SMILESCc1cccc(C)c1OC(C)CNc1ccccc1OCC1CCCO1
InChIInChI=1S/C22H29NO3/c1-16-8-6-9-17(2)22(16)26-18(3)14-23-20-11-4-5-12-21(20)25-15-19-10-7-13-24-19/h4-6,8-9,11-12,18-19,23H,7,10,13-15H2,1-3H3
InChIKeyDPPPTZVFGHOLEG-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.74
Rot. Bonds8

About N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline

N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline (PubChem CID 54802930) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline
PubChem CID54802930
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline
SMILESCc1cccc(C)c1OC(C)CNc1ccccc1OCC1CCCO1
InChIInChI=1S/C22H29NO3/c1-16-8-6-9-17(2)22(16)26-18(3)14-23-20-11-4-5-12-21(20)25-15-19-10-7-13-24-19/h4-6,8-9,11-12,18-19,23H,7,10,13-15H2,1-3H3
InChIKeyDPPPTZVFGHOLEG-UHFFFAOYSA-N
XLogP4.74
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline 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

N-[2-(4-methylphenoxy)butyl]-2-(oxolan-2-ylmethoxy)aniline
CID 54802934
N-[2-(2-butan-2-ylphenoxy)butyl]-2-(oxolan-2-ylmethoxy)aniline
CID 54803003
4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol
CID 54803377
2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54830103
N-naphthalen-1-yl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829466
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
(2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 41386334
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824189
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54821459

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline (CID 54802930) is N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline is Cc1cccc(C)c1OC(C)CNc1ccccc1OCC1CCCO1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline?
The InChIKey is DPPPTZVFGHOLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-16-8-6-9-17(2)22(16)26-18(3)14-23-20-11-4-5-12-21(20)25-15-19-10-7-13-24-19/h4-6,8-9,11-12,18-19,23H,7,10,13-15H2,1-3H3.
What are the key properties of N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline?
N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline has a molecular weight of 355.48 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline is sourced from PubChem (CID 54802930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).