2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine

C13H15F2N3 — CID 114384620

IUPAC2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine
SMILESCc1cccc(-c2cncn2CC(F)(F)CN)c1
InChIInChI=1S/C13H15F2N3/c1-10-3-2-4-11(5-10)12-6-17-9-18(12)8-13(14,15)7-16/h2-6,9H,7-8,16H2,1H3
InChIKeyLWZWFFBCCPDJKI-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.45
Rot. Bonds4

About 2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine

2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine (PubChem CID 114384620) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine
PubChem CID114384620
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine
SMILESCc1cccc(-c2cncn2CC(F)(F)CN)c1
InChIInChI=1S/C13H15F2N3/c1-10-3-2-4-11(5-10)12-6-17-9-18(12)8-13(14,15)7-16/h2-6,9H,7-8,16H2,1H3
InChIKeyLWZWFFBCCPDJKI-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol
CID 14868323
3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine
CID 114384603
ethyl 3-(3-amino-2,2-difluoropropyl)imidazole-4-carboxylate
CID 114384618
4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 54002940
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
ethane;1-methyl-5-(3-methylphenyl)triazole
CID 176560147
2,2-difluoro-4-(3-methylphenyl)butan-1-amine
CID 118527282
2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine
CID 84776411
1-ethyl-5-(3-methylphenyl)imidazol-2-amine
CID 45156658
(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942333
1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole
CID 104874886
5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole
CID 54490047

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine?
The IUPAC name of 2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine (CID 114384620) is 2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine is Cc1cccc(-c2cncn2CC(F)(F)CN)c1.
What is the InChIKey of 2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine?
The InChIKey is LWZWFFBCCPDJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-10-3-2-4-11(5-10)12-6-17-9-18(12)8-13(14,15)7-16/h2-6,9H,7-8,16H2,1H3.
What are the key properties of 2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine?
2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine has a molecular weight of 251.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[5-(3-methylphenyl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 114384620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).