3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline

C23H23FN2O — CID 144773248

IUPAC3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline
SMILESCNc1cccc(C2CC2)c1COc1ccc(-c2ncccc2F)cc1C
InChIInChI=1S/C23H23FN2O/c1-15-13-17(23-20(24)6-4-12-26-23)10-11-22(15)27-14-19-18(16-8-9-16)5-3-7-21(19)25-2/h3-7,10-13,16,25H,8-9,14H2,1-2H3
InChIKeyQYHVDJSVFAWPNN-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.69
Rot. Bonds6

About 3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline

3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline (PubChem CID 144773248) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline.

Molecular Properties

Compound Name3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline
PubChem CID144773248
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline
SMILESCNc1cccc(C2CC2)c1COc1ccc(-c2ncccc2F)cc1C
InChIInChI=1S/C23H23FN2O/c1-15-13-17(23-20(24)6-4-12-26-23)10-11-22(15)27-14-19-18(16-8-9-16)5-3-7-21(19)25-2/h3-7,10-13,16,25H,8-9,14H2,1-2H3
InChIKeyQYHVDJSVFAWPNN-UHFFFAOYSA-N
XLogP5.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline 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

1-[3-cyclopropyl-2-[[2-methyl-4-(3-methyl-2-pyridinyl)phenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121367342
1-amino-3-[3-cyclopropyl-2-[[2-methyl-4-(6-methyl-3-pyridinyl)phenoxy]methyl]phenyl]urea
CID 144772839
cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine
CID 144659539
3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144784976
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide
CID 144784027
3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
CID 144932971
methyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate
CID 121367539
N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline
CID 144799577
1-[3-cyclopropyl-2-[[4-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-2-methylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 118290429
3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline
CID 144784956
N-[3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]propanethioamide
CID 129039138
3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline?
The IUPAC name of 3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline (CID 144773248) is 3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline.
What is the SMILES notation for 3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline?
The canonical SMILES for 3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline is CNc1cccc(C2CC2)c1COc1ccc(-c2ncccc2F)cc1C.
What is the InChIKey of 3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline?
The InChIKey is QYHVDJSVFAWPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c1-15-13-17(23-20(24)6-4-12-26-23)10-11-22(15)27-14-19-18(16-8-9-16)5-3-7-21(19)25-2/h3-7,10-13,16,25H,8-9,14H2,1-2H3.
What are the key properties of 3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline?
3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline has a molecular weight of 362.45 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline is sourced from PubChem (CID 144773248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).