N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine

C14H17F2N3 — CID 82924721

IUPACN-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2N3/c1-3-17-7-12-8-18-10(2)19(12)9-11-4-5-13(15)14(16)6-11/h4-6,8,17H,3,7,9H2,1-2H3
InChIKeySOVOADMSRXBNCK-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.63
Rot. Bonds5

About N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine

N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine (PubChem CID 82924721) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
PubChem CID82924721
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2N3/c1-3-17-7-12-8-18-10(2)19(12)9-11-4-5-13(15)14(16)6-11/h4-6,8,17H,3,7,9H2,1-2H3
InChIKeySOVOADMSRXBNCK-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172672
N-[[3-[(2,6-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 114934374
N-[[3-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 106272907
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methoxyethanamine
CID 107888058
N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 104811800
N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172669
N-[[3-[(2-chloro-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172412
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 107888054
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 65172235
1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173081
[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 114013003

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine (CID 82924721) is N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine is CCNCc1cnc(C)n1Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
The InChIKey is SOVOADMSRXBNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-17-7-12-8-18-10(2)19(12)9-11-4-5-13(15)14(16)6-11/h4-6,8,17H,3,7,9H2,1-2H3.
What are the key properties of N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine has a molecular weight of 265.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 82924721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).