N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine

C15H20FN3 — CID 61317740

IUPACN-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-3-9-19-10-8-18-15(19)14(17-4-2)12-6-5-7-13(16)11-12/h5-8,10-11,14,17H,3-4,9H2,1-2H3
InChIKeyRALMOUZTBWZTOB-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.13
Rot. Bonds6

About N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine

N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 61317740) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID61317740
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-3-9-19-10-8-18-15(19)14(17-4-2)12-6-5-7-13(16)11-12/h5-8,10-11,14,17H,3-4,9H2,1-2H3
InChIKeyRALMOUZTBWZTOB-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 55152900
3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149849
(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 92854425
[(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105197993
N-[(4-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 107992682
N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317745
1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol
CID 110022496
N-[(3-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63961805
1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61318962
1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778
N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine
CID 62919527
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine (CID 61317740) is N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1C(NCC)c1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is RALMOUZTBWZTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-9-19-10-8-18-15(19)14(17-4-2)12-6-5-7-13(16)11-12/h5-8,10-11,14,17H,3-4,9H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine?
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61317740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).