N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine

C15H19ClFN3 — CID 107888054

IUPACN-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)C)n1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H19ClFN3/c1-10(2)18-7-13-8-19-11(3)20(13)9-12-4-5-14(16)15(17)6-12/h4-6,8,10,18H,7,9H2,1-3H3
InChIKeySZYKVHWAVWGJMP-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.53
Rot. Bonds5

About N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine

N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine (PubChem CID 107888054) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
PubChem CID107888054
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC NameN-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)C)n1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H19ClFN3/c1-10(2)18-7-13-8-19-11(3)20(13)9-12-4-5-14(16)15(17)6-12/h4-6,8,10,18H,7,9H2,1-3H3
InChIKeySZYKVHWAVWGJMP-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 114013003
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methoxyethanamine
CID 107888058
N-[[1-[(4-chloro-3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 107888009
N-[[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 107883300
N-[[1-[(4-chloro-3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 107888073
N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 107310259
N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 82924721
N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 65172235
N-[[1-[(4-chloro-3-fluorophenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 107889086
N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 65172221
N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 107879639
1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173081

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine (CID 107888054) is N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine is Cc1ncc(CNC(C)C)n1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine?
The InChIKey is SZYKVHWAVWGJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-10(2)18-7-13-8-19-11(3)20(13)9-12-4-5-14(16)15(17)6-12/h4-6,8,10,18H,7,9H2,1-3H3.
What are the key properties of N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine?
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine has a molecular weight of 295.79 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 107888054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).