N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine

C15H20FN3 — CID 119122506

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1CC(C)CNCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3/c1-12(11-19-8-7-18-13(19)2)9-17-10-14-3-5-15(16)6-4-14/h3-8,12,17H,9-11H2,1-2H3
InChIKeyWZOCEJCXJLWDGB-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.76
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine

N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine (PubChem CID 119122506) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
PubChem CID119122506
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1CC(C)CNCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3/c1-12(11-19-8-7-18-13(19)2)9-17-10-14-3-5-15(16)6-4-14/h3-8,12,17H,9-11H2,1-2H3
InChIKeyWZOCEJCXJLWDGB-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 77918
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CID 69591
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1-Benzyl-3-methylimidazolium Chloride
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Efetozole
CID 208911
1-Benzyl-3-cetyl-2-methylimidazolium iodide
CID 10436839
1-(4-Aminobenzyl)-1H-imidazole
CID 1265319
1-(4-iodobenzyl)-1H-imidazole
CID 15984072
2-Benzyl-1h-imidazole
CID 240539
1-(3-(4-fluorophenyl)propyl)-1H-imidazole
CID 10081625
1-(4-fluorobenzyl)-1H-imidazole
CID 12229388

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine (CID 119122506) is N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine is Cc1nccn1CC(C)CNCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The InChIKey is WZOCEJCXJLWDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-12(11-19-8-7-18-13(19)2)9-17-10-14-3-5-15(16)6-4-14/h3-8,12,17H,9-11H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 119122506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).