2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline

C13H14F3N3 — CID 66129397

IUPAC2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1c(F)cc(F)cc1F
InChIInChI=1S/C13H14F3N3/c1-2-3-19-8-17-6-10(19)7-18-13-11(15)4-9(14)5-12(13)16/h4-6,8,18H,2-3,7H2,1H3
InChIKeyLRMTWZALLNYCTA-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.32
Rot. Bonds5

About 2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline

2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66129397) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66129397
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1c(F)cc(F)cc1F
InChIInChI=1S/C13H14F3N3/c1-2-3-19-8-17-6-10(19)7-18-13-11(15)4-9(14)5-12(13)16/h4-6,8,18H,2-3,7H2,1H3
InChIKeyLRMTWZALLNYCTA-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 79054956
2,4,6-trichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135198
5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132522
2,6-dichloro-N-[(3-ethylimidazol-4-yl)methyl]-4-fluoroaniline
CID 83076377
4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129575
3-[(3-propylimidazol-4-yl)methylamino]phenol
CID 66134782
2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132507
2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 114254514
3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134981
N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648818
1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 66135408
2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol
CID 107679308

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66129397) is 2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is LRMTWZALLNYCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-2-3-19-8-17-6-10(19)7-18-13-11(15)4-9(14)5-12(13)16/h4-6,8,18H,2-3,7H2,1H3.
What are the key properties of 2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline?
2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline has a molecular weight of 269.27 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66129397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).