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

C15H20FN3 — CID 55152900

IUPAC1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CNC(C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-3-8-19-9-7-17-15(19)11-18-12(2)13-5-4-6-14(16)10-13/h4-7,9-10,12,18H,3,8,11H2,1-2H3
InChIKeyOVLDWXNKGOYCCP-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.28
Rot. Bonds6

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

1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 55152900) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID55152900
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CNC(C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-3-8-19-9-7-17-15(19)11-18-12(2)13-5-4-6-14(16)10-13/h4-7,9-10,12,18H,3,8,11H2,1-2H3
InChIKeyOVLDWXNKGOYCCP-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
(1R)-1-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81365719
(1R)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81369190
(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81365622
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 60694693
(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
CID 99626012
1-(2,5-dimethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956848
1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 56828853
3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide
CID 122561459

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine (CID 55152900) is 1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1CNC(C)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is OVLDWXNKGOYCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-8-19-9-7-17-15(19)11-18-12(2)13-5-4-6-14(16)10-13/h4-7,9-10,12,18H,3,8,11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 55152900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).