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

C14H18FN3O — CID 66129575

IUPAC4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccc(F)cc1OC
InChIInChI=1S/C14H18FN3O/c1-3-6-18-10-16-8-12(18)9-17-13-5-4-11(15)7-14(13)19-2/h4-5,7-8,10,17H,3,6,9H2,1-2H3
InChIKeyUNZLCBPRCAIYJG-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.05
Rot. Bonds6

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

4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66129575) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66129575
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccc(F)cc1OC
InChIInChI=1S/C14H18FN3O/c1-3-6-18-10-16-8-12(18)9-17-13-5-4-11(15)7-14(13)19-2/h4-5,7-8,10,17H,3,6,9H2,1-2H3
InChIKeyUNZLCBPRCAIYJG-UHFFFAOYSA-N
XLogP3.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132522
4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131346
2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129397
3-bromo-4-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132384
3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132525
2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132507
2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130335
2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 114254514
3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 79054956
2-[(3-ethylimidazol-4-yl)methylamino]-5-fluorobenzonitrile
CID 82016694
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66129575) is 4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1ccc(F)cc1OC.
What is the InChIKey of 4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is UNZLCBPRCAIYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-6-18-10-16-8-12(18)9-17-13-5-4-11(15)7-14(13)19-2/h4-5,7-8,10,17H,3,6,9H2,1-2H3.
What are the key properties of 4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline?
4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline has a molecular weight of 263.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66129575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).