2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine

C15H20FN3 — CID 46784408

IUPAC2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CNCCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3/c1-2-10-19-11-9-18-15(19)12-17-8-7-13-3-5-14(16)6-4-13/h3-6,9,11,17H,2,7-8,10,12H2,1H3
InChIKeyQEWAYAPKDRAWIK-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.76
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine

2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 46784408) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID46784408
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CNCCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3/c1-2-10-19-11-9-18-15(19)12-17-8-7-13-3-5-14(16)6-4-13/h3-6,9,11,17H,2,7-8,10,12H2,1H3
InChIKeyQEWAYAPKDRAWIK-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 46784377
2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956678
5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
CID 113327188
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 42795755
2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine
CID 82557914
3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 82941127
3-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 55152521
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
CID 115325223
2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66411574
2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
CID 124804470

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine (CID 46784408) is 2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1CNCCc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is QEWAYAPKDRAWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-10-19-11-9-18-15(19)12-17-8-7-13-3-5-14(16)6-4-13/h3-6,9,11,17H,2,7-8,10,12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 46784408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).