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

C14H18FN3 — CID 65172672

IUPACN-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1Cc1cccc(F)c1
InChIInChI=1S/C14H18FN3/c1-3-16-8-14-9-17-11(2)18(14)10-12-5-4-6-13(15)7-12/h4-7,9,16H,3,8,10H2,1-2H3
InChIKeyMDIPVRQBDUXRKB-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.49
Rot. Bonds5

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

N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine (PubChem CID 65172672) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
PubChem CID65172672
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1Cc1cccc(F)c1
InChIInChI=1S/C14H18FN3/c1-3-16-8-14-9-17-11(2)18(14)10-12-5-4-6-13(15)7-12/h4-7,9,16H,3,8,10H2,1-2H3
InChIKeyMDIPVRQBDUXRKB-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine
CID 65172569
N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 104811800
N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 65172235
N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 105409596
N-[[3-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 106272907
N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine
CID 65173134
1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173081
N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 65172516
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 107888054
N-[[2-butyl-3-[(3-fluorophenyl)methyl]imidazol-4-yl]methyl]-4-methyl-2-sulfanylpentanamide
CID 141217344

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine (CID 65172672) is N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine is CCNCc1cnc(C)n1Cc1cccc(F)c1.
What is the InChIKey of N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
The InChIKey is MDIPVRQBDUXRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-16-8-14-9-17-11(2)18(14)10-12-5-4-6-13(15)7-12/h4-7,9,16H,3,8,10H2,1-2H3.
What are the key properties of N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine?
N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65172672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).