N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine

C17H24FN3 — CID 66134625

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCCn1cncc1CNC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C17H24FN3/c1-5-21-12-19-10-15(21)11-20-16(17(2,3)4)13-6-8-14(18)9-7-13/h6-10,12,16,20H,5,11H2,1-4H3
InChIKeyLHXGYIICMUOCKJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.92
Rot. Bonds5

About N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine

N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 66134625) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID66134625
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCCn1cncc1CNC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C17H24FN3/c1-5-21-12-19-10-15(21)11-20-16(17(2,3)4)13-6-8-14(18)9-7-13/h6-10,12,16,20H,5,11H2,1-4H3
InChIKeyLHXGYIICMUOCKJ-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 66133152
3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106348886
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
2-[(3-ethylimidazol-4-yl)methylamino]-5-fluorobenzonitrile
CID 82016694
2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol
CID 43735061
2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627
1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997912
N-[(3-ethylimidazol-4-yl)methyl]-2,3,4-trifluoroaniline
CID 66118850
N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 66132973
1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130587
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 66162308

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine (CID 66134625) is N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine is CCn1cncc1CNC(c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is LHXGYIICMUOCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-5-21-12-19-10-15(21)11-20-16(17(2,3)4)13-6-8-14(18)9-7-13/h6-10,12,16,20H,5,11H2,1-4H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine?
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 66134625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).