3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline

C14H18FN3 — CID 62957177

IUPAC3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1ccc(C)c(F)c1
InChIInChI=1S/C14H18FN3/c1-3-7-18-8-6-16-14(18)10-17-12-5-4-11(2)13(15)9-12/h4-6,8-9,17H,3,7,10H2,1-2H3
InChIKeyUAUOOBADPRDJMV-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.35
Rot. Bonds5

About 3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline

3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline (PubChem CID 62957177) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
PubChem CID62957177
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1ccc(C)c(F)c1
InChIInChI=1S/C14H18FN3/c1-3-7-18-8-6-16-14(18)10-17-12-5-4-11(2)13(15)9-12/h4-6,8-9,17H,3,7,10H2,1-2H3
InChIKeyUAUOOBADPRDJMV-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 62955979
2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile
CID 62955984
4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788244
N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62955966
N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-methylaniline
CID 62357562
3-chloro-4-propoxy-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955275
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
3-bromo-N-[(1-ethylimidazol-2-yl)methyl]-4-fluoroaniline
CID 115693757
3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957381
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865
5-bromo-2,4-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 102852701

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline?
The IUPAC name of 3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline (CID 62957177) is 3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline is CCCn1ccnc1CNc1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline?
The InChIKey is UAUOOBADPRDJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-7-18-8-6-16-14(18)10-17-12-5-4-11(2)13(15)9-12/h4-6,8-9,17H,3,7,10H2,1-2H3.
What are the key properties of 3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline?
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline has a molecular weight of 247.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 62957177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).