N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine

C15H20FN3 — CID 107976585

IUPACN-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)c1cn(C)cn1
InChIInChI=1S/C15H20FN3/c1-4-5-17-15(14-9-19(3)10-18-14)12-6-11(2)7-13(16)8-12/h6-10,15,17H,4-5H2,1-3H3
InChIKeyIGRWEKSZRUXZSU-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.96
Rot. Bonds5

About N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine

N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 107976585) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
PubChem CID107976585
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)c1cn(C)cn1
InChIInChI=1S/C15H20FN3/c1-4-5-17-15(14-9-19(3)10-18-14)12-6-11(2)7-13(16)8-12/h6-10,15,17H,4-5H2,1-3H3
InChIKeyIGRWEKSZRUXZSU-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-fluorophenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107976854
N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016393
N-[(3-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107977964
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79704331
3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 107977060
N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81273573
N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107974113
N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105170013
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79705438
N-[(2-bromo-4-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016395
N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79705264
N-[(3-chlorothiophen-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107978081

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine (CID 107976585) is N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(F)c1)c1cn(C)cn1.
What is the InChIKey of N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is IGRWEKSZRUXZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-5-17-15(14-9-19(3)10-18-14)12-6-11(2)7-13(16)8-12/h6-10,15,17H,4-5H2,1-3H3.
What are the key properties of N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine?
N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 107976585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).