1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine

C12H13F2N3 — CID 63379414

IUPAC1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCn1cncc1CNCc1cc(F)ccc1F
InChIInChI=1S/C12H13F2N3/c1-17-8-16-7-11(17)6-15-5-9-4-10(13)2-3-12(9)14/h2-4,7-8,15H,5-6H2,1H3
InChIKeyCJXZTCMDPWZUGL-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.99
Rot. Bonds4

About 1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine

1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine (PubChem CID 63379414) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
PubChem CID63379414
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCn1cncc1CNCc1cc(F)ccc1F
InChIInChI=1S/C12H13F2N3/c1-17-8-16-7-11(17)6-15-5-9-4-10(13)2-3-12(9)14/h2-4,7-8,15H,5-6H2,1H3
InChIKeyCJXZTCMDPWZUGL-UHFFFAOYSA-N
XLogP1.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 119110043
1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042414
N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332710
4-chloro-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117263
N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66443439
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967554
1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 119110144
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451
5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117863
1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine
CID 119125088
N-[[5-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107696179

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine (CID 63379414) is 1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine is Cn1cncc1CNCc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The InChIKey is CJXZTCMDPWZUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-17-8-16-7-11(17)6-15-5-9-4-10(13)2-3-12(9)14/h2-4,7-8,15H,5-6H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine has a molecular weight of 237.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 63379414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).