N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine

C14H18FN3 — CID 66146501

IUPACN-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1Cc1ccccc1F
InChIInChI=1S/C14H18FN3/c1-2-7-16-8-13-9-17-11-18(13)10-12-5-3-4-6-14(12)15/h3-6,9,11,16H,2,7-8,10H2,1H3
InChIKeySEALQSMGYQOROA-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.57
Rot. Bonds6

About N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine

N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 66146501) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID66146501
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1Cc1ccccc1F
InChIInChI=1S/C14H18FN3/c1-2-7-16-8-13-9-17-11-18(13)10-12-5-3-4-6-14(12)15/h3-6,9,11,16H,2,7-8,10H2,1H3
InChIKeySEALQSMGYQOROA-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.57
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-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66146500
5-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 18670887
N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66145704
N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine
CID 66152003
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine
CID 66118854
N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147953
N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 104766858
2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106259901
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 66310417
N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 66146924

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine (CID 66146501) is N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cncn1Cc1ccccc1F.
What is the InChIKey of N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is SEALQSMGYQOROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-2-7-16-8-13-9-17-11-18(13)10-12-5-3-4-6-14(12)15/h3-6,9,11,16H,2,7-8,10H2,1H3.
What are the key properties of N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine?
N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66146501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).