1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine

C15H20FN3 — CID 106566998

IUPAC1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1C(C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-4-8-17-15-18-11(2)10-19(15)12(3)13-6-5-7-14(16)9-13/h5-7,9-10,12H,4,8H2,1-3H3,(H,17,18)
InChIKeyZSAPZIMSYPDUOU-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.76
Rot. Bonds5

About 1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine

1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine (PubChem CID 106566998) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine
PubChem CID106566998
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1C(C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-4-8-17-15-18-11(2)10-19(15)12(3)13-6-5-7-14(16)9-13/h5-7,9-10,12H,4,8H2,1-3H3,(H,17,18)
InChIKeyZSAPZIMSYPDUOU-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106564834
1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine
CID 106554545
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106556858
N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine
CID 106571701
N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine
CID 106558438
N-ethyl-1-[1-(4-methoxyphenyl)ethyl]-4-methylimidazol-2-amine
CID 106576296
1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559729
1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine
CID 106582706
1-(1-cyclopropylpropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106572732
1-[1-(3-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106566703
N-(3-methoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562044

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine (CID 106566998) is 1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1C(C)c1cccc(F)c1.
What is the InChIKey of 1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine?
The InChIKey is ZSAPZIMSYPDUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-8-17-15-18-11(2)10-19(15)12(3)13-6-5-7-14(16)9-13/h5-7,9-10,12H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine?
1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine has a molecular weight of 261.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 106566998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).